data_6z0i_residue ############################ # Computer software used # ############################ 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 6z0i _Structure_validation_residue.Date_analyzed 2020-09-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 . . . . . 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 . . . . . 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 . . . . . 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 . . . . . 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 . . . . . 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 . . . . . 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 . . . . . 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -129.4 64.11 1.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.644 0.735 . . . . 0.0 110.075 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 -24.19 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.571 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -58.39 -28.26 65.01 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.27 -65.58 0.99 Allowed 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.01 123.2 2.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 164.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.6 143.17 47.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.224 0.512 . . . . 0.0 110.343 162.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 35.73 60.05 2.88 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.02 144.54 78.83 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.302 1.335 . . . . 0.0 111.481 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.76 -104.47 0.91 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p 43.59 52.52 6.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.635 0.731 . . . . 0.0 112.31 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.568 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -56.69 145.82 27.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt 40.21 52.76 2.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -58.17 -28.5 64.82 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -79.99 -63.31 1.44 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.5 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 166.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.44 144.5 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 167.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -56.36 146.03 55.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.9 145.91 70.8 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.293 1.329 . . . . 0.0 111.661 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -27.23 51.03 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.231 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -57.39 144.45 36.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.235 0.517 . . . . 0.0 110.525 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.473 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -57.41 -26.22 60.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.304 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp -57.59 -26.97 62.29 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.67 -28.13 63.49 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -79.63 -64.16 1.25 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.77 123.21 2.09 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 165.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -56.49 140.61 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.109 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -58.56 145.38 76.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.04 -25.44 70.67 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.049 1.166 . . . . 0.0 112.341 171.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.97 54.24 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.874 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -56.58 -24.83 50.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.319 0.56 . . . . 0.0 112.198 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.413 178.516 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -56.81 148.17 21.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.551 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.2 -92.59 0.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.113 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -58.48 -28.16 65.09 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -79.23 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.62 123.16 2.09 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 164.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.76 144.05 34.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 165.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -57.54 -29.89 6.87 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -57.92 -24.6 65.65 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 CA-C-N 121.902 1.715 . . . . 0.0 113.355 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -26.0 48.08 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.483 -0.389 . . . . 0.0 112.624 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.73 144.21 33.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.31 0.555 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.586 -179.038 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -56.7 144.99 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -57.27 -25.5 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -58.34 -28.22 64.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -78.73 -62.86 1.56 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.38 2.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 165.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.12 145.52 20.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.69 -0.3 . . . . 0.0 110.879 167.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 44.51 57.42 14.16 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -55.59 144.55 74.14 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.06 1.173 . . . . 0.0 112.147 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 145.78 40.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.5 m -56.89 144.17 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.647 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.573 -179.564 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -57.64 -25.01 59.54 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.12 -26.68 60.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -58.1 -28.73 64.87 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -80.67 -64.05 1.27 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.7 123.32 2.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 166.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.65 143.5 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.451 164.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -57.12 144.95 67.9 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 119.262 -0.399 . . . . 0.0 110.622 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.71 144.07 93.85 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.318 1.345 . . . . 0.0 111.811 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.67 -167.24 0.31 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -57.06 -26.56 60.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.535 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -57.68 -24.79 58.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.32 -25.36 59.22 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.21 -28.49 64.88 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -78.82 -62.72 1.6 Allowed 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.24 2.12 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 165.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -56.38 147.33 21.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 166.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -55.72 -27.53 3.31 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -169.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.1 145.5 85.89 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 CA-C-N 122.488 1.924 . . . . 0.0 112.037 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.65 -46.75 3.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -56.58 -26.32 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.554 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -58.68 -21.84 55.51 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp -122.26 -90.81 0.57 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.08 -28.67 64.79 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -80.39 -63.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 166.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.72 144.48 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 166.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.45 145.24 59.9 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.97 145.83 83.18 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.316 1.344 . . . . 0.0 111.91 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.42 145.6 35.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.8 p -57.29 -24.79 57.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.476 179.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.356 0.122 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.62 -26.48 61.63 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.55 -26.89 62.09 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -58.48 -28.35 65.27 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.35 -63.64 1.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.52 123.37 2.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 166.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.15 145.24 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 165.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -56.17 145.62 55.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.891 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.69 -23.0 55.42 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.454 1.436 . . . . 0.0 112.99 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.35 -25.93 42.5 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.533 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -56.29 144.85 28.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.424 0.612 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.51 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.31 -26.11 60.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.36 -26.02 60.35 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.44 -29.2 65.95 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -81.62 -63.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.49 2.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 167.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.09 145.48 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.686 0.279 . . . . 0.0 110.36 164.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -55.71 144.83 54.01 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-O 119.366 -0.349 . . . . 0.0 111.181 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -58.0 -23.48 60.44 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.389 1.393 . . . . 0.0 112.996 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.86 49.32 75.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.3 p -57.14 146.26 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.448 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -56.41 146.42 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.29 -25.0 58.56 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.267 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -58.27 -28.22 64.74 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -79.08 -63.21 1.47 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.57 123.31 2.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 165.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -56.15 145.5 25.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.629 0.252 . . . . 0.0 110.576 165.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -56.15 146.01 52.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.429 -0.32 . . . . 0.0 110.759 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -55.76 145.57 71.02 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 121.405 1.403 . . . . 0.0 112.735 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.12 -178.13 44.36 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.7 p -57.27 145.94 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.755 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.537 179.371 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -56.66 145.3 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.56 -25.29 59.72 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.179 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -58.43 -27.64 64.52 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -77.2 -62.68 1.58 Allowed 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 123.25 2.12 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 164.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.52 144.08 32.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 110.534 168.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -56.67 145.46 61.16 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.587 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.54 144.31 85.22 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.279 1.32 . . . . 0.0 111.727 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.14 -29.53 62.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.225 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 t -57.95 -24.82 59.62 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.635 -179.095 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -57.39 -26.13 60.6 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.51 -25.76 60.31 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -58.25 -28.0 64.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.93 -62.71 1.59 Allowed 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.03 2.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.101 165.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.19 145.97 29.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -56.06 145.75 53.36 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.643 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.87 144.76 76.36 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.256 1.304 . . . . 0.0 111.969 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -27.79 59.04 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.31 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -57.95 -24.87 59.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.683 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -57.03 147.9 22.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.1 -25.88 59.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.08 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -58.2 -28.43 64.8 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -78.18 -62.39 1.69 Allowed 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.34 123.23 2.13 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 164.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -55.72 145.86 22.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.716 170.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -56.17 -27.91 3.84 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.72 145.54 70.81 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 CA-C-N 121.995 1.748 . . . . 0.0 112.294 171.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 51.76 54.48 24.9 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.95 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 p -57.24 -25.14 58.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.619 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -56.47 145.69 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.4 -25.11 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.306 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -58.29 -28.28 64.83 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -79.5 -63.92 1.3 Allowed 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.13 2.08 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 164.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.0 143.26 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.336 164.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 36.0 57.64 3.03 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.25 143.17 76.76 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.149 1.233 . . . . 0.0 112.22 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.29 -27.55 60.58 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.405 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -56.92 144.39 33.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.969 0.385 . . . . 0.0 110.837 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.526 179.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -56.62 145.45 28.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.709 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.29 -26.94 61.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.181 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -58.17 -28.76 65.05 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -79.95 -63.21 1.46 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.26 2.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 165.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.98 144.87 27.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 164.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.09 144.97 57.49 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.866 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -57.26 145.78 85.47 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.375 1.384 . . . . 0.0 112.106 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 146.33 35.96 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 m -56.49 144.15 32.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.581 -179.275 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.84 -25.19 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.2 -26.95 61.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -58.22 -28.79 65.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.51 -63.91 1.3 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.64 123.24 2.11 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.52 144.72 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.38 164.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -127.76 68.1 74.23 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.083 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.78 -25.09 59.13 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.309 1.339 . . . . 0.0 112.569 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.09 145.91 36.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -56.9 144.38 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.656 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.541 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -57.28 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.02 -25.93 59.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -58.28 -28.13 64.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -78.22 -62.91 1.53 Allowed 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.33 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 165.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.18 145.83 25.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.427 0.156 . . . . 0.0 110.664 165.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 43.44 56.04 11.95 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -57.45 -24.26 60.13 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.381 1.388 . . . . 0.0 112.949 -173.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.28 -98.18 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 t -56.73 145.11 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.565 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -57.14 145.2 31.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.35 -24.52 55.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.323 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.22 -28.39 64.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -77.36 -62.22 1.73 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 171.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.49 123.2 2.11 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 164.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.15 145.37 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.759 0.314 . . . . 0.0 110.696 168.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -56.18 146.04 53.19 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.642 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.6 -23.89 51.0 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.216 1.277 . . . . 0.0 112.838 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 144.82 34.24 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.1 p -57.42 -24.98 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.535 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -56.97 146.66 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.0 -26.12 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.144 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -58.04 -28.32 64.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -77.38 -62.49 1.64 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 171.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.21 2.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 164.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.55 144.38 31.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.692 0.282 . . . . 0.0 110.537 167.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -56.5 146.06 56.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.87 145.56 72.32 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.25 1.3 . . . . 0.0 111.913 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 -26.75 51.32 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.29 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.2 p 43.62 52.57 6.17 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.525 0.679 . . . . 0.0 112.361 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.533 179.468 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' THR . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.56 ' O ' HD12 ' A' ' 25' ' ' ILE . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 25' ' ' ILE . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 33' ' ' LEU . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 . . . . . 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' ILE . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 22' ' ' ILE . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 16' ' ' LEU . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 25' ' ' ILE . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.509 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CG ' HD11 ' A' ' 18' ' ' LEU . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 11' ' ' PRO . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 19' ' ' LEU . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 9' ' ' PRO . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 16' ' ' LEU . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 19' ' ' LEU . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 . . . . . 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 22' ' ' ILE . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 19' ' ' LEU . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 . . . . . 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' ILE . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 19' ' ' LEU . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 24' ' ' LEU . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 . . . . . 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 19' ' ' LEU . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 16' ' ' LEU . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB2' HG21 ' A' ' 15' ' ' ILE . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' A' ' 10' ' ' PHE . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 27' ' ' ILE . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.849 HD12 HD12 ' A' ' 24' ' ' LEU . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 . . . . . 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 HD12 ' A' ' 22' ' ' ILE . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.558 HD12 HD12 ' A' ' 19' ' ' LEU . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.819 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 HD13 ' A' ' 24' ' ' LEU . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 22' ' ' ILE . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 22' ' ' ILE . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 19' ' ' LEU . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 16' ' ' LEU . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 27' ' ' ILE . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 24' ' ' LEU . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 . . . . . 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' A' ' 15' ' ' ILE . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 10' ' ' PHE . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 19' ' ' LEU . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 16' ' ' LEU . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 19' ' ' LEU . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD12 HD12 ' A' ' 27' ' ' ILE . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 HD12 ' A' ' 24' ' ' LEU . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD12 HD12 ' A' ' 27' ' ' ILE . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.801 HD12 HD12 ' A' ' 24' ' ' LEU . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 . . . . . 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 19' ' ' LEU . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 16' ' ' LEU . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 19' ' ' LEU . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 19' ' ' LEU . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 16' ' ' LEU . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 16' ' ' LEU . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' OG1' ' A' ' 13' ' ' THR . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -129.4 64.11 1.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.644 0.735 . . . . 0.0 110.075 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 -24.19 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.571 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' THR . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.56 ' O ' HD12 ' A' ' 25' ' ' ILE . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 25' ' ' ILE . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 33' ' ' LEU . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -58.39 -28.26 65.01 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -82.27 -65.58 0.99 Allowed 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.01 123.2 2.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 164.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.6 143.17 47.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.224 0.512 . . . . 0.0 110.343 162.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 35.73 60.05 2.88 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.02 144.54 78.83 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.302 1.335 . . . . 0.0 111.481 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.76 -104.47 0.91 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p 43.59 52.52 6.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.635 0.731 . . . . 0.0 112.31 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.568 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -56.69 145.82 27.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt 40.21 52.76 2.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' ILE . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 22' ' ' ILE . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -58.17 -28.5 64.82 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -79.99 -63.31 1.44 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.5 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 166.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.44 144.5 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 167.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -56.36 146.03 55.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.9 145.91 70.8 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.293 1.329 . . . . 0.0 111.661 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -27.23 51.03 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.231 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -57.39 144.45 36.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.235 0.517 . . . . 0.0 110.525 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.473 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -57.41 -26.22 60.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.304 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp -57.59 -26.97 62.29 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 16' ' ' LEU . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 25' ' ' ILE . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.67 -28.13 63.49 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -79.63 -64.16 1.25 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.77 123.21 2.09 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 165.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -56.49 140.61 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.109 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -58.56 145.38 76.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.04 -25.44 70.67 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.049 1.166 . . . . 0.0 112.341 171.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.97 54.24 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.874 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -56.58 -24.83 50.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.319 0.56 . . . . 0.0 112.198 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.413 178.516 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -56.81 148.17 21.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.551 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.2 -92.59 0.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.113 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CG ' HD11 ' A' ' 18' ' ' LEU . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 11' ' ' PRO . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 19' ' ' LEU . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 9' ' ' PRO . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 16' ' ' LEU . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -58.48 -28.16 65.09 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -79.23 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.62 123.16 2.09 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 164.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -56.76 144.05 34.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 165.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -57.54 -29.89 6.87 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -57.92 -24.6 65.65 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 CA-C-N 121.902 1.715 . . . . 0.0 113.355 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -26.0 48.08 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.483 -0.389 . . . . 0.0 112.624 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.73 144.21 33.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.31 0.555 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.586 -179.038 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -56.7 144.99 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -57.27 -25.5 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 19' ' ' LEU . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -58.34 -28.22 64.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -78.73 -62.86 1.56 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.38 2.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 165.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.12 145.52 20.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.69 -0.3 . . . . 0.0 110.879 167.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 44.51 57.42 14.16 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -55.59 144.55 74.14 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.06 1.173 . . . . 0.0 112.147 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 145.78 40.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.5 m -56.89 144.17 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.647 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.573 -179.564 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -57.64 -25.01 59.54 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.12 -26.68 60.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 22' ' ' ILE . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 19' ' ' LEU . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -58.1 -28.73 64.87 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -80.67 -64.05 1.27 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.7 123.32 2.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 166.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.65 143.5 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.451 164.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -57.12 144.95 67.9 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 119.262 -0.399 . . . . 0.0 110.622 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.71 144.07 93.85 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.318 1.345 . . . . 0.0 111.811 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.67 -167.24 0.31 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -57.06 -26.56 60.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.535 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -57.68 -24.79 58.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.32 -25.36 59.22 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' ILE . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 19' ' ' LEU . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 24' ' ' LEU . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.21 -28.49 64.88 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -78.82 -62.72 1.6 Allowed 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.24 2.12 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 165.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -56.38 147.33 21.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 166.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -55.72 -27.53 3.31 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -169.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.1 145.5 85.89 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 CA-C-N 122.488 1.924 . . . . 0.0 112.037 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.65 -46.75 3.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -56.58 -26.32 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.554 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -58.68 -21.84 55.51 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp -122.26 -90.81 0.57 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 19' ' ' LEU . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 16' ' ' LEU . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.08 -28.67 64.79 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -80.39 -63.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 166.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.72 144.48 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 166.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.45 145.24 59.9 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.97 145.83 83.18 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.316 1.344 . . . . 0.0 111.91 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.42 145.6 35.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.8 p -57.29 -24.79 57.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.476 179.683 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.356 0.122 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.62 -26.48 61.63 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.55 -26.89 62.09 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB2' HG21 ' A' ' 15' ' ' ILE . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' A' ' 10' ' ' PHE . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 27' ' ' ILE . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.849 HD12 HD12 ' A' ' 24' ' ' LEU . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HG2' ' A' ' 41' ' ' GLN . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -58.48 -28.35 65.27 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.35 -63.64 1.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.52 123.37 2.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 166.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 95.2 mt-30 -56.15 145.24 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 165.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -56.17 145.62 55.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.891 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.69 -23.0 55.42 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.454 1.436 . . . . 0.0 112.99 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.35 -25.93 42.5 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.533 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -56.29 144.85 28.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.424 0.612 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.51 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.31 -26.11 60.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -57.36 -26.02 60.35 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.44 -29.2 65.95 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -81.62 -63.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.49 2.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 167.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.09 145.48 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.686 0.279 . . . . 0.0 110.36 164.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -55.71 144.83 54.01 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-O 119.366 -0.349 . . . . 0.0 111.181 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -58.0 -23.48 60.44 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.389 1.393 . . . . 0.0 112.996 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.86 49.32 75.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.3 p -57.14 146.26 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.448 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -56.41 146.42 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.29 -25.0 58.56 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.267 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -58.27 -28.22 64.74 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -79.08 -63.21 1.47 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.57 123.31 2.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 165.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' H ' ' CD ' ' A' ' 41' ' ' GLN . 4.0 pm0 -56.15 145.5 25.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.629 0.252 . . . . 0.0 110.576 165.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -56.15 146.01 52.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.429 -0.32 . . . . 0.0 110.759 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -55.76 145.57 71.02 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 121.405 1.403 . . . . 0.0 112.735 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.12 -178.13 44.36 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.7 p -57.27 145.94 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.755 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.537 179.371 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -56.66 145.3 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.56 -25.29 59.72 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.179 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 HD12 ' A' ' 22' ' ' ILE . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.558 HD12 HD12 ' A' ' 19' ' ' LEU . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -58.43 -27.64 64.52 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -77.2 -62.68 1.58 Allowed 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 123.25 2.12 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 164.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.52 144.08 32.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 110.534 168.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -56.67 145.46 61.16 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.587 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HB2' HG22 ' A' ' 45' ' ' THR . 31.7 Cg_exo -56.54 144.31 85.22 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.279 1.32 . . . . 0.0 111.727 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.14 -29.53 62.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.225 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 43' ' ' PRO . 5.0 t -57.95 -24.82 59.62 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.635 -179.095 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -57.39 -26.13 60.6 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.51 -25.76 60.31 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.819 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 HD13 ' A' ' 24' ' ' LEU . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -58.25 -28.0 64.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.93 -62.71 1.59 Allowed 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.03 2.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.101 165.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.19 145.97 29.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -56.06 145.75 53.36 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.643 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.87 144.76 76.36 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.256 1.304 . . . . 0.0 111.969 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -27.79 59.04 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.31 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -57.95 -24.87 59.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.683 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -57.03 147.9 22.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.1 -25.88 59.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.08 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 22' ' ' ILE . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 22' ' ' ILE . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -58.2 -28.43 64.8 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -78.18 -62.39 1.69 Allowed 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.34 123.23 2.13 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 164.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -55.72 145.86 22.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.716 170.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -56.17 -27.91 3.84 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.72 145.54 70.81 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 CA-C-N 121.995 1.748 . . . . 0.0 112.294 171.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 51.76 54.48 24.9 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.95 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 p -57.24 -25.14 58.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.619 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -56.47 145.69 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.4 -25.11 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.306 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 19' ' ' LEU . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 16' ' ' LEU . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 27' ' ' ILE . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 24' ' ' LEU . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -58.29 -28.28 64.83 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -79.5 -63.92 1.3 Allowed 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.13 2.08 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 164.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.0 143.26 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.336 164.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 36.0 57.64 3.03 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.25 143.17 76.76 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.149 1.233 . . . . 0.0 112.22 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.29 -27.55 60.58 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.405 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -56.92 144.39 33.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.969 0.385 . . . . 0.0 110.837 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.526 179.346 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -56.62 145.45 28.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.709 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.29 -26.94 61.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.181 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' A' ' 15' ' ' ILE . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 10' ' ' PHE . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 19' ' ' LEU . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 16' ' ' LEU . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 19' ' ' LEU . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD12 HD12 ' A' ' 27' ' ' ILE . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 HD12 ' A' ' 24' ' ' LEU . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -58.17 -28.76 65.05 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -79.95 -63.21 1.46 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.26 2.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 165.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.98 144.87 27.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 164.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.09 144.97 57.49 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.866 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -57.26 145.78 85.47 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.375 1.384 . . . . 0.0 112.106 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 146.33 35.96 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 m -56.49 144.15 32.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.581 -179.275 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.84 -25.19 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.2 -26.95 61.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD12 HD12 ' A' ' 27' ' ' ILE . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.801 HD12 HD12 ' A' ' 24' ' ' LEU . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 41' ' ' GLN . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -58.22 -28.79 65.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.51 -63.91 1.3 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.64 123.24 2.11 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 94.6 mt-30 -56.52 144.72 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.38 164.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -127.76 68.1 74.23 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.083 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.78 -25.09 59.13 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.309 1.339 . . . . 0.0 112.569 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.09 145.91 36.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -56.9 144.38 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.656 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.541 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -57.28 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.02 -25.93 59.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 19' ' ' LEU . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 16' ' ' LEU . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 19' ' ' LEU . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -58.28 -28.13 64.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -78.22 -62.91 1.53 Allowed 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.33 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 165.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.18 145.83 25.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.427 0.156 . . . . 0.0 110.664 165.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 43.44 56.04 11.95 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -57.45 -24.26 60.13 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.381 1.388 . . . . 0.0 112.949 -173.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.28 -98.18 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 t -56.73 145.11 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.565 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -57.14 145.2 31.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.35 -24.52 55.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.323 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 19' ' ' LEU . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 16' ' ' LEU . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.22 -28.39 64.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -77.36 -62.22 1.73 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 171.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.49 123.2 2.11 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 164.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.15 145.37 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.759 0.314 . . . . 0.0 110.696 168.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -56.18 146.04 53.19 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.642 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.6 -23.89 51.0 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.216 1.277 . . . . 0.0 112.838 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 144.82 34.24 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.1 p -57.42 -24.98 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.535 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -56.97 146.66 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.0 -26.12 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.144 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 16' ' ' LEU . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' OG1' ' A' ' 13' ' ' THR . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -58.04 -28.32 64.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -77.38 -62.49 1.64 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 171.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.21 2.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 164.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.55 144.38 31.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.692 0.282 . . . . 0.0 110.537 167.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -56.5 146.06 56.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.87 145.56 72.32 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.25 1.3 . . . . 0.0 111.913 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 -26.75 51.32 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.29 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.2 p 43.62 52.57 6.17 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.525 0.679 . . . . 0.0 112.361 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.533 179.468 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' THR . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.56 ' O ' HD12 ' A' ' 25' ' ' ILE . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 25' ' ' ILE . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 33' ' ' LEU . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 . . . . . 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' ILE . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 22' ' ' ILE . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 . . . . . 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 16' ' ' LEU . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 25' ' ' ILE . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 CA--C 1.537 0.465 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.509 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CG ' HD11 ' A' ' 18' ' ' LEU . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 11' ' ' PRO . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 19' ' ' LEU . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 9' ' ' PRO . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 16' ' ' LEU . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 . . . . . 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 19' ' ' LEU . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 . . . . . 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 22' ' ' ILE . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 19' ' ' LEU . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 . . . . . 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' ILE . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 19' ' ' LEU . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 24' ' ' LEU . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 . . . . . 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 19' ' ' LEU . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 16' ' ' LEU . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB2' HG21 ' A' ' 15' ' ' ILE . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' A' ' 10' ' ' PHE . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 27' ' ' ILE . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.849 HD12 HD12 ' A' ' 24' ' ' LEU . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 . . . . . 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 . . . . . 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 HD12 ' A' ' 22' ' ' ILE . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.558 HD12 HD12 ' A' ' 19' ' ' LEU . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.819 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 HD13 ' A' ' 24' ' ' LEU . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 22' ' ' ILE . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 22' ' ' ILE . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 19' ' ' LEU . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 16' ' ' LEU . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 27' ' ' ILE . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 24' ' ' LEU . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 . . . . . 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' A' ' 15' ' ' ILE . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 10' ' ' PHE . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 19' ' ' LEU . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 16' ' ' LEU . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 19' ' ' LEU . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD12 HD12 ' A' ' 27' ' ' ILE . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 HD12 ' A' ' 24' ' ' LEU . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 HD12 HD12 ' A' ' 27' ' ' ILE . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.801 HD12 HD12 ' A' ' 24' ' ' LEU . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 . . . . . 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 19' ' ' LEU . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 16' ' ' LEU . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 19' ' ' LEU . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 19' ' ' LEU . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 16' ' ' LEU . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 16' ' ' LEU . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' OG1' ' A' ' 13' ' ' THR . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -129.4 64.11 1.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.644 0.735 . . . . 0.0 110.075 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 -24.19 52.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.571 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.2 mp -57.47 -25.87 60.4 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -86.76 -17.2 34.13 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.36 4.12 69.78 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 119.316 -0.713 . . . . 0.0 113.921 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.25 144.95 26.57 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 118.575 1.187 . . . . 0.0 110.871 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.3 mt -79.98 142.52 56.07 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -66.51 146.79 80.94 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.421 1.414 . . . . 0.0 111.584 169.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -56.53 145.66 58.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-O 119.078 -0.487 . . . . 0.0 110.128 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -56.13 -35.28 94.89 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 120.837 1.025 . . . . 0.0 114.418 -173.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 13' ' ' THR . 36.6 Cg_exo -59.93 141.59 96.83 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.091 1.194 . . . . 0.0 111.035 166.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 175.89 -46.65 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.631 176.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.6 -38.67 78.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.982 -0.687 . . . . 0.0 111.318 -167.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 pt -61.05 -34.92 62.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.449 -0.901 . . . . 0.0 111.409 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.67 -37.47 84.2 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.158 -0.617 . . . . 0.0 111.216 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 17' ' ' LEU . 10.1 tt -61.41 -39.44 90.77 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.126 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.28 -38.76 90.59 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.949 -0.7 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.55 -36.25 80.06 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.036 -0.666 . . . . 0.0 111.339 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.43 99.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.56 ' O ' HD12 ' A' ' 25' ' ' ILE . 84.5 m -61.86 -44.15 97.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.823 -176.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.4 mm -60.92 -41.56 89.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.435 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -61.2 -32.79 72.55 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.525 -0.47 . . . . 0.0 112.25 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.52 -62.09 1.74 Allowed 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.729 -169.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 25' ' ' ILE . 5.2 mp -59.59 -33.61 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.624 -177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.22 -36.96 78.87 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.674 -0.811 . . . . 0.0 111.35 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -72.18 -54.34 16.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.306 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.89 -29.17 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.371 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.73 -52.02 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.81 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.392 -174.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -61.84 -37.86 86.04 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.25 40.97 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.883 -174.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 33' ' ' LEU . 8.0 tt -60.57 -38.1 83.45 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.108 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -60.24 -29.91 69.07 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -60.91 2.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.794 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.93 73.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.002 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.22 -45.24 77.39 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -58.39 -28.26 65.01 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 123.915 0.759 . . . . 0.0 112.732 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -82.27 -65.58 0.99 Allowed 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 108.696 -0.854 . . . . 0.0 108.696 173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -143.01 123.2 2.06 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 164.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.6 143.17 47.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.224 0.512 . . . . 0.0 110.343 162.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 35.73 60.05 2.88 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.02 144.54 78.83 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.302 1.335 . . . . 0.0 111.481 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.76 -104.47 0.91 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.449 -0.661 . . . . 0.0 111.449 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 p 43.59 52.52 6.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.635 0.731 . . . . 0.0 112.31 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.568 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -56.69 145.82 27.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.9 mt 40.21 52.76 2.82 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.523 0.678 . . . . 0.0 112.61 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.76 -27.03 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.8 -15.45 39.2 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.52 10.93 70.74 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.688 -0.506 . . . . 0.0 113.364 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.05 150.63 23.89 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.022 0.911 . . . . 0.0 111.041 -176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.8 mt -79.7 143.03 57.88 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -65.76 149.07 87.2 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.177 1.252 . . . . 0.0 110.54 175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -55.0 144.3 49.1 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.141 -169.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -56.9 -29.36 81.61 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 N-CA-C 117.704 2.155 . . . . 0.0 117.704 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.87 -32.87 96.1 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 CA-C-N 122.379 1.885 . . . . 0.0 114.342 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -63.05 -35.4 80.11 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.448 0.642 . . . . 0.0 111.897 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.8 t -61.97 -40.52 95.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.864 -173.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -60.64 -33.01 53.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.352 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.1 -38.15 85.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.702 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 tp -61.03 -36.29 79.16 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.145 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.84 -35.96 77.88 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.081 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.19 -35.57 75.68 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.362 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.94 95.2 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.493 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.95 -38.99 87.81 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.783 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' ILE . 48.7 mm -59.89 -34.75 57.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.823 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -60.06 -37.96 81.39 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.792 -0.763 . . . . 0.0 110.672 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.32 -37.09 82.01 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.993 174.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 22' ' ' ILE . 70.1 mt -61.2 -35.13 63.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.915 177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.06 -35.03 74.25 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.049 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.5 -39.66 83.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.78 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.38 -32.84 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.418 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.53 91.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.262 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.21 95.94 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 t -60.42 -36.64 78.64 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.98 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.25 -41.03 98.06 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.72 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.5 tt -59.78 -36.11 76.01 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.906 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.43 -33.73 71.63 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.184 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.66 -39.28 93.93 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 111.166 174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.43 84.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.87 92.78 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.723 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -58.17 -28.5 64.82 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.872 0.732 . . . . 0.0 112.426 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -79.99 -63.31 1.44 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 171.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.5 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 166.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.44 144.5 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.623 167.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -56.36 146.03 55.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.9 145.91 70.8 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.293 1.329 . . . . 0.0 111.661 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.06 -27.23 51.03 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.231 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.7 m -57.39 144.45 36.21 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.235 0.517 . . . . 0.0 110.525 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 76.1 m80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.473 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.2 mtt85 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -57.41 -26.22 60.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.304 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.4 tp -57.59 -26.97 62.29 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.89 -27.7 63.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.9 -18.07 31.73 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.24 4.85 70.98 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.738 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.17 148.4 25.19 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 118.376 1.088 . . . . 0.0 109.836 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.5 142.72 58.27 Favored Pre-proline 0 CA--C 1.54 0.568 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.72 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.38 149.28 84.89 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 121.575 1.517 . . . . 0.0 111.796 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.5 146.64 42.88 Favored Pre-proline 0 N--CA 1.464 0.241 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -54.37 -34.45 80.78 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 N-CA-C 115.19 1.188 . . . . 0.0 115.19 -166.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.98 138.19 77.1 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 CA-C-N 120.843 1.337 . . . . 0.0 111.313 168.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -60.29 -28.06 67.79 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.29 -36.1 74.97 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.52 -169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -60.28 -34.68 58.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 119.56 -0.856 . . . . 0.0 110.355 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 12.0 tp -60.88 -37.52 82.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.086 -0.645 . . . . 0.0 110.834 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.8 tt -60.9 -38.07 84.42 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.955 177.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 18' ' ' LEU . 9.2 mp -61.38 -35.1 76.54 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.384 176.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 16' ' ' LEU . 80.2 mt -60.48 -34.33 73.89 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.381 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.24 99.62 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.17 0.51 . . . . 0.0 110.587 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.7 m -61.47 -40.97 96.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.687 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 25' ' ' ILE . 78.3 mt -60.34 -34.11 56.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.813 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -60.13 -37.53 80.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.764 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.29 -36.72 80.83 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.019 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.6 mt -61.21 -35.32 65.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.731 176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -59.94 -35.27 74.57 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.914 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.31 -36.49 73.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.646 174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.4 -34.3 73.71 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.231 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.9 89.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.078 0.465 . . . . 0.0 111.348 173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.57 74.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -59.8 -35.92 75.67 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.986 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.73 98.15 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.059 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.81 -34.72 73.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.991 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -59.52 -32.09 69.98 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.542 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.11 99.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.404 0.621 . . . . 0.0 110.511 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.1 -37.19 79.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.55 77.93 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.67 -28.13 63.49 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 123.826 0.704 . . . . 0.0 111.879 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -79.63 -64.16 1.25 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 168.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.77 123.21 2.09 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 165.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -56.49 140.61 45.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.109 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -58.56 145.38 76.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.211 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.04 -25.44 70.67 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.049 1.166 . . . . 0.0 112.341 171.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.49 -24.97 54.24 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.874 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.1 p -56.58 -24.83 50.21 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.319 0.56 . . . . 0.0 112.198 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.413 178.516 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.1 tpt85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -56.81 148.17 21.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.551 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -123.2 -92.59 0.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.113 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -57.87 -23.32 52.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.652 0.66 . . . . 0.0 112.355 177.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.66 -16.45 36.57 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.51 12.28 69.03 Favored Glycine 0 CA--C 1.534 1.262 0 O-C-N 121.96 -0.462 . . . . 0.0 113.326 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -87.11 148.16 25.34 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 117.965 0.883 . . . . 0.0 110.322 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.1 pt -79.65 142.84 57.82 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.076 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CG ' HD11 ' A' ' 18' ' ' LEU . 4.4 Cg_exo -66.1 151.22 84.3 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.346 1.364 . . . . 0.0 110.709 176.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -55.04 145.44 44.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.017 -174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 15' ' ' ILE . 29.1 Cg_exo -57.36 -27.41 75.49 Favored 'Trans proline' 0 N--CA 1.503 2.083 0 N-CA-C 118.699 2.538 . . . . 0.0 118.699 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.76 -26.72 48.8 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 CA-C-N 122.962 2.094 . . . . 0.0 114.473 -165.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -176.9 -33.41 0.01 OUTLIER 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -57.73 -36.42 72.02 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.054 -0.659 . . . . 0.0 111.133 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 11' ' ' PRO . 73.8 mt -60.16 -36.63 69.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 119.853 -0.739 . . . . 0.0 110.653 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 19' ' ' LEU . 35.4 tp -60.53 -36.23 77.9 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.239 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -60.71 -37.45 81.74 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.767 178.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 9' ' ' PRO . 87.1 mt -61.41 -37.18 82.52 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.285 176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD12 HD12 ' A' ' 16' ' ' LEU . 91.6 mt -61.29 -34.36 75.08 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 120.143 -0.623 . . . . 0.0 111.566 177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.65 98.32 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.674 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.1 m -61.27 -41.13 96.41 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.6 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.16 -34.56 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.663 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.2 -36.75 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.957 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.92 -36.92 80.55 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.922 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.13 -35.57 66.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.68 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 80.4 tttt -60.1 -34.48 73.54 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.126 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.97 -37.57 77.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.527 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.82 -32.79 72.15 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.121 -0.632 . . . . 0.0 111.375 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.76 -38.23 89.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.808 0.337 . . . . 0.0 111.321 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.56 84.83 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.346 177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 m -59.8 -34.85 73.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.58 -40.6 95.36 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.521 178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.65 -35.16 73.86 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.841 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -59.56 -32.52 70.43 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.089 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.56 -37.13 84.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.077 0.465 . . . . 0.0 111.2 173.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.25 82.48 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.595 177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.3 94.0 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.826 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -58.48 -28.16 65.09 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.679 0.612 . . . . 0.0 112.32 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -79.23 -63.63 1.37 Allowed 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.62 123.16 2.09 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 164.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.76 144.05 34.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 165.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -57.54 -29.89 6.87 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -57.92 -24.6 65.65 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 CA-C-N 121.902 1.715 . . . . 0.0 113.355 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -26.0 48.08 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 121.483 -0.389 . . . . 0.0 112.624 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.9 m -56.73 144.21 33.54 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.31 0.555 . . . . 0.0 110.624 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.586 -179.038 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -56.7 144.99 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -57.27 -25.5 59.32 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -57.89 -26.34 62.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -86.87 -16.98 34.44 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.41 8.42 71.96 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 119.52 -0.6 . . . . 0.0 113.461 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -87.16 149.76 24.42 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.289 1.045 . . . . 0.0 111.038 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.67 142.95 57.85 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.771 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.88 148.99 86.81 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.251 1.301 . . . . 0.0 110.97 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -55.26 145.15 47.94 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.053 -172.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -56.54 -29.86 80.43 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 N-CA-C 117.396 2.037 . . . . 0.0 117.396 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.42 -29.14 83.44 Favored 'Trans proline' 0 N--CA 1.502 1.997 0 CA-C-N 122.266 1.845 . . . . 0.0 113.676 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -58.81 -30.24 67.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.915 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.0 p -58.82 -31.91 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.129 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -59.42 -35.47 58.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.343 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.21 -36.99 81.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.054 -0.658 . . . . 0.0 110.887 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.5 tp -60.61 -34.72 74.65 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.997 175.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.42 -35.27 75.39 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.021 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . 77.1 mt -60.25 -34.57 73.89 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.987 173.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.03 -39.18 91.45 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.751 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -60.66 -37.71 82.44 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.668 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 19' ' ' LEU . 78.5 mt -59.63 -35.76 61.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.422 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.49 -37.13 80.09 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.92 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 mt -60.79 -34.58 74.72 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.064 175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.5 -35.54 63.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.674 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.94 -35.56 75.19 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.922 175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -61.38 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 C-N-CA 120.076 -0.649 . . . . 0.0 110.884 174.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.62 -33.25 72.49 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.441 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.78 94.83 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.02 0.438 . . . . 0.0 110.993 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.65 85.02 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.528 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -60.05 -34.84 73.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.62 -41.73 97.88 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.397 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.826 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -59.75 -32.65 70.77 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.282 174.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.97 -37.89 88.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.135 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.57 84.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.626 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.26 93.69 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.855 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -58.34 -28.22 64.88 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.733 0.646 . . . . 0.0 112.45 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -78.73 -62.86 1.56 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.38 2.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 165.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.12 145.52 20.8 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.69 -0.3 . . . . 0.0 110.879 167.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 44.51 57.42 14.16 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -55.59 144.55 74.14 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 121.06 1.173 . . . . 0.0 112.147 -175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 145.78 40.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.5 m -56.89 144.17 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.647 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.573 -179.564 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p -57.64 -25.01 59.54 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.12 -26.68 60.9 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.64 -27.76 63.12 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -86.81 -18.2 31.6 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.38 7.22 71.9 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.572 -0.571 . . . . 0.0 113.559 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.14 147.58 25.57 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 118.287 1.044 . . . . 0.0 110.633 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.53 142.89 58.35 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.606 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -65.78 148.42 86.57 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.172 1.248 . . . . 0.0 110.723 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -55.48 144.7 52.23 Favored Pre-proline 0 CA--C 1.536 0.405 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.041 -172.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -57.62 -27.92 79.13 Favored 'Trans proline' 0 N--CA 1.501 1.919 0 N-CA-C 117.663 2.14 . . . . 0.0 117.663 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.8 -26.01 64.27 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 CA-C-N 122.767 2.024 . . . . 0.0 113.695 -175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 m -57.53 -25.08 59.34 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 m -57.89 -33.73 69.03 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 122.05 -0.407 . . . . 0.0 111.411 -172.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 pt -59.89 -34.21 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.75 -36.77 79.74 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.847 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -60.91 -35.81 77.66 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 119.828 -0.749 . . . . 0.0 111.014 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.97 -35.02 75.69 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.262 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 22' ' ' ILE . 25.9 tp -59.93 -34.57 73.42 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.032 175.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.54 92.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.089 0.471 . . . . 0.0 110.871 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -60.95 -40.83 94.83 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.68 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 19' ' ' LEU . 82.3 mt -60.37 -35.5 63.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.824 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.84 -35.13 75.77 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.821 -0.751 . . . . 0.0 111.143 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.66 -35.75 77.01 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.973 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.66 -35.87 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.506 175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -59.89 -35.03 73.98 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.163 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.09 -35.9 68.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.841 176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.28 -34.05 73.21 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.346 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.49 93.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 111.381 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.82 79.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -60.25 -35.07 74.65 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.113 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.26 93.46 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.348 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.0 tt -59.66 -35.9 75.35 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.056 -0.657 . . . . 0.0 111.02 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.582 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.14 99.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.24 0.543 . . . . 0.0 110.956 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.74 89.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.701 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.24 86.61 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.972 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -58.1 -28.73 64.87 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.825 0.703 . . . . 0.0 112.382 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -80.67 -64.05 1.27 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.7 123.32 2.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 166.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.65 143.5 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.451 164.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -57.12 144.95 67.9 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-O 119.262 -0.399 . . . . 0.0 110.622 -177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.71 144.07 93.85 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 121.318 1.345 . . . . 0.0 111.811 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.67 -167.24 0.31 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -57.06 -26.56 60.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.535 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -57.68 -24.79 58.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.32 -25.36 59.22 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.44 -28.03 62.95 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -86.9 -18.05 31.79 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.44 0.534 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 7.48 72.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.561 -0.577 . . . . 0.0 113.636 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.14 148.53 25.16 Favored 'General case' 0 C--O 1.23 0.061 0 CA-C-N 118.223 1.011 . . . . 0.0 109.9 -179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.9 tp -79.47 142.51 58.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.549 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -66.22 148.83 85.35 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 121.412 1.408 . . . . 0.0 111.637 173.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -55.69 146.62 45.04 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.27 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.62 -31.71 71.67 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 120.926 1.084 . . . . 0.0 114.916 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.0 141.78 96.35 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.677 1.278 . . . . 0.0 111.045 166.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -126.72 -93.77 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.293 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.8 m -58.93 -35.67 73.49 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.723 -0.611 . . . . 0.0 110.992 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 tp -59.7 -33.05 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.182 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 tp -60.7 -37.01 80.25 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.843 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 72.9 mt -60.67 -35.14 75.52 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.023 175.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.38 -34.28 73.67 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.018 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -59.44 -35.49 74.13 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.601 174.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -62.48 -39.83 94.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 110.896 175.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.6 m -60.74 -40.34 92.02 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' ILE . 85.3 mt -60.71 -34.54 59.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.907 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 19' ' ' LEU . 33.5 m-85 -60.79 -37.08 80.69 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.565 -0.854 . . . . 0.0 111.019 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 24' ' ' LEU . 8.0 mp -61.56 -35.42 77.72 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.599 -0.84 . . . . 0.0 111.178 174.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 22' ' ' ILE . 69.4 mt -60.96 -35.52 65.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.767 176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -60.12 -34.94 74.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.85 -0.74 . . . . 0.0 110.997 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.12 -37.22 76.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.674 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.9 -32.48 71.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.524 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.2 92.75 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.016 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.78 89.7 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.372 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -60.21 -34.47 73.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.921 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.56 -41.38 97.31 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.491 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.75 -36.11 75.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.843 177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.52 -32.68 70.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.25 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.77 -37.68 87.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.25 85.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.553 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.27 90.48 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.663 174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.21 -28.49 64.88 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.798 0.686 . . . . 0.0 112.359 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -78.82 -62.72 1.6 Allowed 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.24 2.12 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 165.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -56.38 147.33 21.68 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 166.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -55.72 -27.53 3.31 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -169.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.1 145.5 85.89 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 CA-C-N 122.488 1.924 . . . . 0.0 112.037 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.65 -46.75 3.36 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.0 m -56.58 -26.32 55.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.554 179.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p -58.68 -21.84 55.51 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.6 tp -122.26 -90.81 0.57 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -168.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -57.35 -23.98 52.38 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -173.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -86.62 -10.58 53.57 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.99 5.91 72.57 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.763 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 150.37 23.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 118.379 1.09 . . . . 0.0 109.585 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 pt -79.65 142.43 57.29 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.966 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.57 149.71 84.14 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.623 1.549 . . . . 0.0 112.271 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -55.76 146.5 46.47 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -54.65 -32.85 77.19 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 N-CA-C 114.642 0.978 . . . . 0.0 114.642 -168.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.12 141.02 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 CA-C-N 120.702 1.286 . . . . 0.0 110.994 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.9 p -127.06 -95.25 0.44 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -59.45 -35.79 74.73 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.766 -0.583 . . . . 0.0 110.985 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -59.56 -35.07 57.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.618 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 19' ' ' LEU . 13.9 tp -61.11 -38.23 85.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.756 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 tp -60.86 -37.23 81.39 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.044 -0.662 . . . . 0.0 111.009 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.08 -36.45 79.69 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.18 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD12 ' A' ' 16' ' ' LEU . 80.6 mt -60.69 -34.39 74.27 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.58 177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.19 99.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.572 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.46 -41.44 97.23 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.65 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.37 -34.3 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.972 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -60.11 -37.94 81.51 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.978 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 mp -61.68 -37.42 84.03 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.954 -0.698 . . . . 0.0 111.084 174.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.78 -35.62 68.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.998 174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -61.28 -40.17 93.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.707 -174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.1 pt -63.93 -36.0 75.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 119.021 -1.071 . . . . 0.0 111.219 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.81 -33.08 72.46 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.522 173.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.384 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.432 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 m -60.32 -36.34 77.69 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.898 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.21 -41.56 98.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.721 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.87 -35.75 75.46 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.911 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -59.61 -33.19 71.18 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.301 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.36 -39.49 94.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.149 0.5 . . . . 0.0 111.171 175.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.96 86.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.77 92.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.783 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.08 -28.67 64.79 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.947 0.779 . . . . 0.0 112.437 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -80.39 -63.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.42 2.16 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 166.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.72 144.48 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 166.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.45 145.24 59.9 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.628 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.97 145.83 83.18 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.316 1.344 . . . . 0.0 111.91 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.42 145.6 35.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.8 p -57.29 -24.79 57.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.476 179.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 120.356 0.122 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.62 -26.48 61.63 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.55 -26.89 62.09 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.91 -27.95 63.8 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -86.83 -18.03 31.96 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.31 6.57 71.83 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.721 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -87.01 148.92 25.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 118.445 1.122 . . . . 0.0 110.362 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.4 mt -79.75 142.71 57.25 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -66.2 149.77 85.26 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.487 1.458 . . . . 0.0 110.941 171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB2' HG21 ' A' ' 15' ' ' ILE . 96.6 m-85 -55.12 144.67 48.61 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-O 119.387 -0.339 . . . . 0.0 110.571 -176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -55.82 -34.31 90.9 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 N-CA-C 116.147 1.556 . . . . 0.0 116.147 -171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.15 137.03 76.73 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 CA-C-N 121.252 1.483 . . . . 0.0 112.229 175.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -60.65 -27.89 68.16 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 170.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 m -58.39 -34.8 71.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.345 -171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG21 ' HB2' ' A' ' 10' ' ' PHE . 2.5 pp -59.84 -34.68 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.835 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.28 -36.33 79.76 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.236 -0.586 . . . . 0.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 71.9 mt -60.87 -34.85 75.26 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.946 176.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.0 tp -60.56 -36.22 77.96 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.957 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.56 -33.0 72.06 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.232 -0.587 . . . . 0.0 111.201 173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.62 -38.86 89.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.033 0.445 . . . . 0.0 110.811 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -60.88 -41.09 95.3 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.236 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.28 -34.86 58.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.898 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.72 -34.08 73.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.086 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 27' ' ' ILE . 13.6 tp -60.19 -37.38 80.07 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.528 174.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.23 -35.88 68.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.8 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 42.3 tttp -59.93 -33.79 72.37 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.116 176.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.849 HD12 HD12 ' A' ' 24' ' ' LEU . 72.4 mt -60.55 -37.1 74.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.538 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.27 -33.74 72.75 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.046 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.39 -36.51 83.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.559 174.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.67 79.75 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.837 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -59.64 -36.14 75.77 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 120.381 -0.527 . . . . 0.0 110.738 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.02 -41.06 97.68 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.575 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.05 -35.17 74.55 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -59.67 -33.03 71.05 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.899 173.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.1 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 111.185 173.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.7 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HG2' ' A' ' 41' ' ' GLN . . . -63.84 -39.26 93.79 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.751 176.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -58.48 -28.35 65.27 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 123.936 0.773 . . . . 0.0 112.537 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -80.35 -63.64 1.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 171.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.52 123.37 2.15 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 166.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 95.2 mt-30 -56.15 145.24 26.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.485 165.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -56.17 145.62 55.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.891 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.69 -23.0 55.42 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.454 1.436 . . . . 0.0 112.99 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.35 -25.93 42.5 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.533 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -56.29 144.85 28.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.424 0.612 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.51 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 t -57.31 -26.11 60.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 3' ' ' LEU . 6.4 tt -57.36 -26.02 60.35 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.6 tp -57.48 -27.65 62.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -86.86 -18.19 31.52 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.2 2.5 68.57 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.329 -0.706 . . . . 0.0 113.807 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -87.33 147.5 25.47 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.585 1.192 . . . . 0.0 110.137 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 pt -79.68 142.58 57.35 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.182 -0.437 . . . . 0.0 110.847 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.45 148.4 83.89 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.457 1.438 . . . . 0.0 111.816 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -55.89 146.13 49.66 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-O 119.215 -0.422 . . . . 0.0 110.07 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.79 -33.73 82.14 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 120.825 1.017 . . . . 0.0 114.393 -172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.33 142.28 98.87 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 CA-C-N 120.327 1.152 . . . . 0.0 110.848 165.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 m -126.44 -94.96 0.45 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.109 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -59.86 -34.99 73.86 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.677 -0.639 . . . . 0.0 111.182 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -59.77 -34.85 57.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.427 178.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -61.2 -37.09 81.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.625 175.583 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 17' ' ' LEU . 8.9 tt -60.3 -36.78 78.69 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.884 176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.67 -36.83 79.71 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 tt -60.48 -35.12 75.13 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.459 -0.497 . . . . 0.0 111.194 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.06 98.59 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.818 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.04 -40.68 94.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.624 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.39 -35.37 62.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.799 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.85 -37.58 82.56 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.132 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.08 -42.14 99.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.273 -0.571 . . . . 0.0 111.956 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.2 pt -64.23 -34.64 70.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.515 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -61.61 -41.12 97.0 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.79 -0.764 . . . . 0.0 111.766 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 pt -64.15 -34.66 70.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 119.338 -0.945 . . . . 0.0 111.567 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.9 tp -60.48 -33.81 73.12 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.544 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.91 95.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 111.442 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.21 96.71 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.64 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -60.5 -36.17 77.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.132 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -44.44 96.19 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.824 -177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.04 -36.17 76.71 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.934 -0.706 . . . . 0.0 111.04 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -59.94 -34.03 72.7 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.487 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.87 96.42 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.146 0.498 . . . . 0.0 111.298 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.884 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.0 96.18 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.911 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -58.44 -29.2 65.95 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.084 0.865 . . . . 0.0 112.757 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -81.62 -63.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.56 123.49 2.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 167.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -55.09 145.48 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.686 0.279 . . . . 0.0 110.36 164.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -55.71 144.83 54.01 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-O 119.366 -0.349 . . . . 0.0 111.181 -170.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -58.0 -23.48 60.44 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.389 1.393 . . . . 0.0 112.996 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.86 49.32 75.62 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.3 p -57.14 146.26 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.448 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -56.41 146.42 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.29 -25.0 58.56 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.267 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.77 -25.93 61.18 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.63 -14.17 43.5 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.27 8.76 72.42 Favored Glycine 0 CA--C 1.535 1.29 0 CA-C-O 119.809 -0.439 . . . . 0.0 113.326 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -87.21 153.75 21.25 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.154 0.977 . . . . 0.0 110.014 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.9 mt -79.35 142.33 58.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -66.32 148.13 84.06 Favored 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 121.432 1.422 . . . . 0.0 112.51 177.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -55.67 146.82 43.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.246 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -54.86 -31.28 72.27 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -170.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.81 136.91 78.34 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 CA-C-N 122.06 1.771 . . . . 0.0 112.107 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -61.89 -28.86 69.81 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -59.7 -40.14 86.94 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.691 -166.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 pt -60.81 -32.68 52.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.155 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.41 -35.67 76.32 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.959 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 31.3 tp -60.48 -36.74 79.02 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.813 175.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.4 -36.36 80.08 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.217 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.02 -32.91 72.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.118 -0.633 . . . . 0.0 111.246 174.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -39.8 92.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.53 176.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.0 m -60.62 -39.28 87.62 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.376 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.87 -34.5 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.892 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.17 -36.26 77.17 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.934 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.8 -36.05 78.04 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.824 -0.75 . . . . 0.0 110.874 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.03 -35.36 64.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.675 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 54.7 tttm -59.86 -34.25 72.88 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.934 175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mm -60.73 -36.28 69.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.718 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.2 -33.21 71.92 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.23 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.0 -37.32 86.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.393 173.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.93 81.63 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.732 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 p -60.59 -34.04 73.62 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.785 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.55 -40.66 95.49 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.559 177.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -35.41 74.48 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.927 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.55 -32.63 70.51 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.219 173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.65 -37.47 86.51 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.985 0.421 . . . . 0.0 111.04 174.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.51 83.67 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.624 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.73 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.682 174.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -58.27 -28.22 64.74 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 123.732 0.645 . . . . 0.0 112.34 177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -79.08 -63.21 1.47 Allowed 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.57 123.31 2.13 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 165.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' H ' ' CD ' ' A' ' 41' ' ' GLN . 4.0 pm0 -56.15 145.5 25.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.629 0.252 . . . . 0.0 110.576 165.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -56.15 146.01 52.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 119.429 -0.32 . . . . 0.0 110.759 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -55.76 145.57 71.02 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 C-N-CA 121.405 1.403 . . . . 0.0 112.735 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.12 -178.13 44.36 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.7 p -57.27 145.94 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.755 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 p-80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.537 179.371 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -56.66 145.3 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.56 -25.29 59.72 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.179 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -25.99 61.31 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.78 -13.86 43.95 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.35 6.31 71.54 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-O 119.395 -0.669 . . . . 0.0 113.675 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -87.2 146.22 26.09 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 118.441 1.12 . . . . 0.0 110.519 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.0 mt -79.88 142.73 56.73 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-O 118.975 -0.536 . . . . 0.0 110.285 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -66.17 146.87 82.88 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 121.219 1.28 . . . . 0.0 111.232 174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -56.31 145.27 58.31 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-O 119.384 -0.341 . . . . 0.0 110.603 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.85 -29.22 80.63 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 N-CA-C 116.519 1.7 . . . . 0.0 116.519 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.68 -25.09 58.13 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 CA-C-N 122.076 1.777 . . . . 0.0 112.915 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.3 p -57.79 -23.73 53.76 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.6 t -57.87 -34.98 70.35 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.054 -175.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.29 -34.77 58.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.919 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.43 -37.1 82.3 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.181 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.4 mp -61.02 -34.95 75.63 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.704 -0.798 . . . . 0.0 111.056 176.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.4 mt -60.81 -36.24 78.54 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.964 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 HD12 ' A' ' 22' ' ' ILE . 19.6 tp -60.52 -33.69 73.01 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.12 172.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.15 -37.39 82.68 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.02 -42.12 97.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.294 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.558 HD12 HD12 ' A' ' 19' ' ' LEU . 82.4 mt -60.42 -35.91 65.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.691 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -60.94 -33.99 74.03 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.862 -0.735 . . . . 0.0 111.324 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.1 mt -60.47 -35.36 75.71 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.809 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.76 -36.75 73.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.388 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 82.8 tttt -60.23 -34.51 73.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.047 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.03 -35.62 66.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.724 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.2 -33.33 72.08 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.061 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -63.14 -36.68 84.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 111.384 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.12 75.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.847 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -59.34 -35.17 73.37 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.785 174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.38 -39.94 92.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 30.0 tp -59.24 -34.85 72.71 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.676 175.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.15 -32.29 69.74 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.04 173.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.19 -36.75 82.85 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.009 0.433 . . . . 0.0 111.149 173.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.96 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.538 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.98 93.16 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -58.43 -27.64 64.52 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -77.2 -62.68 1.58 Allowed 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 170.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.51 123.25 2.12 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 164.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.52 144.08 32.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.0 110.534 168.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -56.67 145.46 61.16 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.587 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HB2' HG22 ' A' ' 45' ' ' THR . 31.7 Cg_exo -56.54 144.31 85.22 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.279 1.32 . . . . 0.0 111.727 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.14 -29.53 62.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.225 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 43' ' ' PRO . 5.0 t -57.95 -24.82 59.62 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.635 -179.095 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -57.39 -26.13 60.6 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.51 -25.76 60.31 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.9 -27.89 63.73 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -86.92 -13.61 44.22 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.25 5.71 71.53 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.371 -0.683 . . . . 0.0 113.867 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -87.21 147.47 25.57 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.45 1.125 . . . . 0.0 109.898 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.7 142.74 57.47 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.788 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.42 147.16 82.26 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.371 1.381 . . . . 0.0 111.446 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -56.36 145.46 57.96 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.288 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -55.56 -32.83 84.57 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 N-CA-C 114.991 1.112 . . . . 0.0 114.991 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -57.31 141.36 94.69 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 CA-C-N 120.426 1.188 . . . . 0.0 111.981 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -128.14 -93.53 0.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 121.289 -0.165 . . . . 0.0 111.277 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -58.98 -35.12 72.68 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.665 -0.647 . . . . 0.0 111.292 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 pt -60.01 -32.43 50.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 119.493 -0.883 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -36.69 79.66 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.903 173.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 70.6 mt -60.64 -34.26 74.02 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.9 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.28 -35.71 76.16 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.675 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.69 -34.58 73.06 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.811 173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.52 -38.2 86.52 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.738 175.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.38 -38.4 83.81 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.545 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.83 -35.42 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.489 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.84 -36.49 79.26 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.056 -0.658 . . . . 0.0 111.159 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.819 HD13 HD12 ' A' ' 27' ' ' ILE . 4.4 mm? -60.98 -35.81 77.78 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.524 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -35.81 67.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.757 176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 56.7 mtpt -60.21 -34.81 74.16 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.903 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 HD13 ' A' ' 24' ' ' LEU . 70.8 mt -61.4 -35.12 64.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.814 174.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.18 -32.37 71.02 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.036 174.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.49 -37.8 87.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.931 172.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.85 -36.96 77.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.579 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -59.69 -34.0 72.32 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.695 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -60.97 -40.48 93.54 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.316 177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.81 -35.53 74.89 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.903 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -59.51 -32.15 70.03 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.1 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -36.8 83.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.906 0.384 . . . . 0.0 111.165 173.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.7 83.01 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.534 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.58 91.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.617 174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -58.25 -28.0 64.51 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.347 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.93 -62.71 1.59 Allowed 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.03 2.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.101 165.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -57.19 145.97 29.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -56.06 145.75 53.36 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.643 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.87 144.76 76.36 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.256 1.304 . . . . 0.0 111.969 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -27.79 59.04 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 121.236 -0.506 . . . . 0.0 112.31 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.1 p -57.95 -24.87 59.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.683 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -57.03 147.9 22.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.1 -25.88 59.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.08 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.37 -26.31 60.82 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -86.51 -17.17 34.8 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.28 12.96 68.25 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.396 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 89.41 136.87 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.903 1.281 . . . . 0.0 110.831 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 pt -79.68 142.88 57.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.499 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.14 146.3 81.31 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.272 1.315 . . . . 0.0 111.396 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -56.22 145.27 57.36 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.7 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.89 -29.08 80.44 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 N-CA-C 116.654 1.752 . . . . 0.0 116.654 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.75 -24.63 56.3 Favored 'Trans proline' 0 N--CA 1.502 1.977 0 CA-C-N 122.089 1.782 . . . . 0.0 113.081 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.3 -27.88 62.54 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 m -58.39 -34.45 70.74 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.1 mt -59.36 -34.08 53.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.545 176.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.73 -36.82 79.83 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.587 175.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 75.1 mt -60.97 -36.27 78.98 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.112 177.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.24 -34.94 75.96 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.043 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.742 HD12 HD12 ' A' ' 22' ' ' ILE . 21.9 tp -60.15 -33.93 72.86 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.203 174.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.7 -39.47 91.58 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.707 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -60.57 -39.58 88.56 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD12 HD12 ' A' ' 19' ' ' LEU . 78.0 mt -60.25 -34.37 57.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.781 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -60.28 -36.31 77.54 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.592 -0.843 . . . . 0.0 110.784 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.05 -41.02 97.68 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.4 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG22 ' O ' ' A' ' 22' ' ' ILE . 18.2 tt -62.87 -31.94 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.512 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -59.91 -34.77 73.64 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.854 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.05 -36.72 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.758 174.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.42 -33.23 72.2 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.342 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.59 91.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 111.345 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.11 87.33 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.789 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.2 p -60.75 -33.42 72.9 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.009 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.09 -42.26 99.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.425 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.11 -36.07 76.63 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.033 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 37.0 m0 -60.13 -31.74 70.36 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.359 173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.27 -37.94 87.4 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.22 78.96 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.629 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.33 86.2 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.757 174.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.2 t-105 -58.2 -28.43 64.8 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.754 0.659 . . . . 0.0 112.245 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -78.18 -62.39 1.69 Allowed 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.34 123.23 2.13 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 164.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -55.72 145.86 22.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.716 170.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -56.17 -27.91 3.84 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.72 145.54 70.81 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 CA-C-N 121.995 1.748 . . . . 0.0 112.294 171.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 51.76 54.48 24.9 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.95 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 p -57.24 -25.14 58.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.619 -179.407 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -56.47 145.69 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.4 -25.11 59.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.306 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.3 mp -57.8 -26.44 61.95 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.96 -17.92 31.95 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.34 7.26 72.04 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-O 119.619 -0.545 . . . . 0.0 113.437 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -87.15 149.5 24.6 Favored 'General case' 0 C--O 1.23 0.079 0 CA-C-N 118.304 1.052 . . . . 0.0 110.094 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.44 142.95 58.84 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.58 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.29 148.73 84.96 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.379 1.386 . . . . 0.0 111.39 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.44 145.43 48.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.562 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.03 -29.71 75.28 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 N-CA-C 116.72 1.777 . . . . 0.0 116.72 -169.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.98 139.38 89.68 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 CA-C-N 122.211 1.825 . . . . 0.0 112.197 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 t -59.97 -24.35 64.34 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.635 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -57.97 -33.77 69.23 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.261 -171.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.37 -36.48 64.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.471 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 19' ' ' LEU . 13.5 tp -60.86 -36.04 78.13 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.995 173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 19.4 tp -60.35 -34.74 74.29 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.029 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.6 -36.14 77.86 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.933 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 16' ' ' LEU . 71.5 mt -60.53 -32.99 72.01 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.956 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.48 -37.21 82.8 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.888 174.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -39.69 87.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.219 176.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.71 -35.56 60.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.625 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -60.46 -34.31 73.83 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.906 175.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 27' ' ' ILE . 12.1 tp -60.03 -36.14 76.62 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.681 176.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.92 -36.77 74.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.539 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 49.2 tptt -60.32 -34.31 73.64 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.045 176.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.891 HD12 HD12 ' A' ' 24' ' ' LEU . 64.2 mt -60.67 -33.88 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.652 174.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -59.17 -34.01 71.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.446 173.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.81 -36.08 82.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.15 0.5 . . . . 0.0 111.334 170.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.5 -34.75 72.99 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.871 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.8 m -59.11 -35.06 72.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.755 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.32 -41.09 96.43 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.228 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.72 -35.19 74.03 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.029 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -59.6 -32.18 70.16 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.281 174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -62.05 -38.25 88.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.123 0.487 . . . . 0.0 110.988 174.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.2 -38.83 84.51 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.583 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.49 87.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.86 175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -58.29 -28.28 64.83 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.647 0.592 . . . . 0.0 112.296 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -79.5 -63.92 1.3 Allowed 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.67 123.13 2.08 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 164.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.0 143.26 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.336 164.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 36.0 57.64 3.03 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.25 143.17 76.76 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.149 1.233 . . . . 0.0 112.22 -174.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.29 -27.55 60.58 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.405 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -56.92 144.39 33.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.969 0.385 . . . . 0.0 110.837 -178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.526 179.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -56.62 145.45 28.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.709 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.0 tp -57.29 -26.94 61.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.181 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 4' ' ' LEU . 6.5 mp -58.03 -26.57 62.62 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -86.79 -15.86 38.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.13 3.5 69.9 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-O 119.234 -0.759 . . . . 0.0 113.772 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.13 146.45 26.04 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.548 1.174 . . . . 0.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.609 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.3 mp -79.99 142.44 55.93 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.375 -176.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.57 151.52 82.68 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.614 1.543 . . . . 0.0 111.507 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' A' ' 15' ' ' ILE . 78.7 m-85 -55.08 145.4 44.78 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.026 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -55.1 -34.66 88.27 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 N-CA-C 115.981 1.493 . . . . 0.0 115.981 -164.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.15 134.22 51.31 Favored 'Trans proline' 0 N--CA 1.498 1.76 0 CA-C-N 121.175 1.455 . . . . 0.0 112.229 173.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 t -62.3 -26.55 68.48 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.223 0.535 . . . . 0.0 112.338 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -58.17 -34.2 70.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.515 -168.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 10' ' ' PHE . 38.3 pt -59.46 -34.21 53.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.861 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 19' ' ' LEU . 32.3 tp -61.41 -38.03 85.63 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.765 173.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 22.7 tp -61.05 -35.99 78.38 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.235 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.04 -36.34 79.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.065 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 16' ' ' LEU . 82.0 mt -60.63 -33.54 72.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.281 174.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.9 -39.65 92.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.099 0.476 . . . . 0.0 110.705 175.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.6 m -60.48 -38.32 83.89 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.718 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 19' ' ' LEU . 77.8 mt -59.91 -34.88 57.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.241 -0.583 . . . . 0.0 110.705 177.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.63 -36.86 79.68 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.87 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD12 HD12 ' A' ' 27' ' ' ILE . 13.8 tp -62.48 -41.97 99.17 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.654 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.0 pt -63.17 -32.24 55.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.383 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -59.74 -34.96 73.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.849 175.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD12 HD12 ' A' ' 24' ' ' LEU . 71.0 mt -61.07 -36.28 71.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.598 174.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.24 -33.93 72.97 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.139 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . -62.78 -38.54 91.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 111.259 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.66 84.5 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.506 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -59.92 -34.48 73.28 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.931 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.53 -41.47 97.38 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.89 -36.04 76.11 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.977 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -59.85 -32.81 71.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.311 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.11 -38.38 90.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.964 0.411 . . . . 0.0 111.246 175.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.71 88.56 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.576 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.17 93.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.739 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -58.17 -28.76 65.05 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.881 0.738 . . . . 0.0 112.61 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -79.95 -63.21 1.46 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.26 2.12 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 165.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -55.98 144.87 27.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 164.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -56.09 144.97 57.49 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.866 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -57.26 145.78 85.47 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.375 1.384 . . . . 0.0 112.106 178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 146.33 35.96 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.1 m -56.49 144.15 32.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.841 0.353 . . . . 0.0 110.811 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.3 t60 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.581 -179.275 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -57.84 -25.19 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.2 -26.95 61.48 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.76 -26.08 61.38 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.81 -15.19 39.97 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.21 4.48 70.71 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-O 118.384 -1.231 . . . . 0.0 114.224 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 89.26 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.613 1.165 . . . . 0.0 110.489 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -79.53 142.47 57.85 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -66.21 148.27 84.67 Favored 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 121.327 1.351 . . . . 0.0 111.641 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -55.75 145.79 49.88 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.418 -0.325 . . . . 0.0 110.481 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -55.4 -31.94 79.65 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 N-CA-C 116.693 1.766 . . . . 0.0 116.693 -170.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.7 138.24 85.12 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.83 1.689 . . . . 0.0 112.334 177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -60.83 -25.28 66.5 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -58.34 -33.72 69.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.312 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.63 -36.52 65.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.515 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.33 -35.26 76.92 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.338 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.48 -36.86 79.31 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.952 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.7 mp -61.26 -36.53 80.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.235 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.66 -33.73 73.26 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.134 -0.627 . . . . 0.0 111.244 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.71 96.76 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.094 0.473 . . . . 0.0 110.739 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.91 -40.31 92.65 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.596 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.02 -36.2 65.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.746 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.91 -34.59 74.91 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.334 175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 HD12 HD12 ' A' ' 27' ' ' ILE . 13.3 tp -60.22 -37.5 80.51 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.728 176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.18 -36.28 71.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.684 175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 47.1 tttp -60.19 -34.18 73.25 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.168 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.801 HD12 HD12 ' A' ' 24' ' ' LEU . 74.1 mt -60.8 -37.17 75.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 120.056 -0.658 . . . . 0.0 110.642 176.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.8 mt -60.49 -34.07 73.52 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.242 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -64.13 -37.47 87.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.651 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.45 80.23 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.977 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -59.8 -36.73 77.33 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.852 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -62.37 -41.79 98.9 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.502 179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 tp -59.74 -35.4 74.49 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.975 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -59.68 -33.05 71.07 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.314 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -63.12 -39.6 95.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.075 0.464 . . . . 0.0 111.117 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.17 87.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.759 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HG2' ' A' ' 41' ' ' GLN . . . -63.52 -38.31 90.63 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.742 175.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -58.22 -28.79 65.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.927 0.767 . . . . 0.0 112.441 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -80.51 -63.91 1.3 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 171.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.64 123.24 2.11 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 94.6 mt-30 -56.52 144.72 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.38 164.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -127.76 68.1 74.23 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.083 -177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.78 -25.09 59.13 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 121.309 1.339 . . . . 0.0 112.569 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.09 145.91 36.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -56.9 144.38 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.656 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 m80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.541 -179.749 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -57.28 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.02 -25.93 59.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.48 -27.93 62.94 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -86.79 -18.37 31.23 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.5 6.66 71.22 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.521 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -87.11 148.71 25.11 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.202 1.001 . . . . 0.0 110.478 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -79.51 142.93 58.5 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.781 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.18 148.58 85.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.363 1.375 . . . . 0.0 111.557 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -55.53 146.73 42.78 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.793 -176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.68 -29.5 71.21 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 N-CA-C 117.49 2.073 . . . . 0.0 117.49 -173.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.67 139.43 83.15 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 CA-C-N 122.519 1.935 . . . . 0.0 112.788 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -60.26 -23.71 64.33 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.173 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 m -58.05 -35.86 71.94 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.143 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.23 -34.91 58.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.731 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 19' ' ' LEU . 46.5 tp -60.48 -36.55 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.819 175.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 74.5 mt -60.98 -35.43 76.79 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.82 -0.752 . . . . 0.0 111.103 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.08 -36.28 79.22 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.07 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 16' ' ' LEU . 76.6 mt -60.82 -31.57 70.97 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.244 172.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -60.84 -38.12 84.41 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.54 174.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.3 m -60.48 -39.36 87.41 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.265 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 19' ' ' LEU . 72.4 mt -59.7 -33.96 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.52 176.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -60.05 -34.48 73.45 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.768 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.25 -35.62 75.92 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.628 175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -60.89 -35.11 62.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.583 174.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 52.4 tttm -60.01 -33.16 71.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.958 175.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.2 mt -60.41 -35.2 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.499 175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.81 -33.03 71.2 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.788 172.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.41 -34.14 76.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 111.424 171.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -58.98 -36.21 74.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.694 176.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 t -59.34 -34.34 72.25 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.715 173.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.43 -40.71 95.41 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.493 176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 33' ' ' LEU . 9.4 mp -60.25 -35.57 75.79 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.308 178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -59.91 -31.4 69.79 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 119.789 -0.765 . . . . 0.0 111.188 172.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.78 -37.03 82.81 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.087 0.47 . . . . 0.0 110.934 172.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -60.02 -37.72 80.57 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.492 177.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.76 88.5 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -58.28 -28.13 64.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.269 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -78.22 -62.91 1.53 Allowed 'General case' 0 CA--C 1.521 -0.148 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.58 123.33 2.13 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 165.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -56.18 145.83 25.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.427 0.156 . . . . 0.0 110.664 165.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.2 mptt 43.44 56.04 11.95 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -57.45 -24.26 60.13 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.381 1.388 . . . . 0.0 112.949 -173.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.28 -98.18 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 t -56.73 145.11 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.598 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.565 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -57.14 145.2 31.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.35 -24.52 55.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.323 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.15 -27.61 62.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.89 -18.31 31.19 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.56 2.19 67.18 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.56 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -87.31 148.23 25.16 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 118.39 1.095 . . . . 0.0 111.053 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.3 pt -79.57 142.95 58.29 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.356 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.95 147.82 85.23 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.266 1.311 . . . . 0.0 111.699 -177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -55.52 145.56 48.54 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.709 -174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.03 -31.72 83.52 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 N-CA-C 116.05 1.519 . . . . 0.0 116.05 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.77 141.51 92.25 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.313 1.505 . . . . 0.0 111.808 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -166.4 -52.7 0.03 OUTLIER 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.239 0.543 . . . . 0.0 110.768 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -58.28 -32.37 68.35 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.309 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.1 mt -59.5 -35.8 61.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.295 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 19' ' ' LEU . 13.6 tp -60.64 -35.32 75.9 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.811 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.98 -35.52 75.18 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.732 176.264 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -60.58 -36.24 78.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.015 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD12 HD12 ' A' ' 16' ' ' LEU . 77.1 mt -60.51 -33.65 72.94 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.006 -0.677 . . . . 0.0 111.191 172.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.6 -38.09 86.32 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.867 175.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.32 -39.62 87.68 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.493 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.69 -35.77 61.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.521 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.33 -34.87 74.43 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.995 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.08 -36.22 76.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.74 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.31 -35.56 63.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 119.996 -0.682 . . . . 0.0 110.508 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttmt -59.91 -34.35 73.08 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.046 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.77 -35.52 64.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.932 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -59.85 -33.51 71.88 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.091 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.7 -36.72 83.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.08 0.467 . . . . 0.0 111.294 173.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.88 74.87 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.795 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -59.23 -35.31 73.43 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.763 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.73 -40.01 93.58 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.559 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.1 tt -59.69 -36.57 76.76 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.902 178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -59.85 -31.72 70.01 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.256 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.69 -37.52 84.42 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 0.0 110.873 172.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.86 -37.05 78.19 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.715 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.8 88.1 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.629 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.22 -28.39 64.79 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.189 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -77.36 -62.22 1.73 Allowed 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 171.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.49 123.2 2.11 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 164.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.15 145.37 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.759 0.314 . . . . 0.0 110.696 168.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -56.18 146.04 53.19 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.642 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.6 -23.89 51.0 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.216 1.277 . . . . 0.0 112.838 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 144.82 34.24 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.1 p -57.42 -24.98 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.535 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -56.97 146.66 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.0 -26.12 59.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.144 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.8 mt -57.43 -25.51 59.74 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -86.74 -18.03 32.13 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.3 3.77 69.64 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 121.169 -0.539 . . . . 0.0 113.494 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -87.27 149.95 24.22 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 118.343 1.072 . . . . 0.0 110.117 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.0 mt -79.41 142.82 58.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.78 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -66.05 147.88 84.84 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.23 1.287 . . . . 0.0 111.561 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -55.66 145.71 49.28 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.769 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.84 -29.05 79.86 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 N-CA-C 116.77 1.796 . . . . 0.0 116.77 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.5 141.69 90.09 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 CA-C-N 122.345 1.873 . . . . 0.0 112.522 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 16' ' ' LEU . 7.5 t 36.89 26.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -60.29 -35.77 76.31 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.121 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.37 -37.64 74.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.573 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' OG1' ' A' ' 13' ' ' THR . 75.0 mt -61.88 -34.73 76.55 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 111.285 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 28.0 tp -60.31 -35.45 75.62 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.919 175.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.73 -35.68 76.96 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.021 175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.18 -33.85 72.78 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.995 173.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -61.42 -37.08 82.21 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.888 174.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.36 -39.84 88.6 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.38 177.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.9 -35.73 62.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.618 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.25 -35.26 75.07 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.978 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.29 -35.36 75.38 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.903 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -36.76 71.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 119.81 -0.756 . . . . 0.0 110.366 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 27.2 ttpp -60.26 -34.13 73.28 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 119.804 -0.758 . . . . 0.0 111.083 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 41.9 mm -60.84 -34.76 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.941 176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -59.88 -33.22 71.54 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.976 -0.689 . . . . 0.0 110.857 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 26' ' ' LYS . . . -62.73 -36.08 81.84 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.131 0.491 . . . . 0.0 111.288 170.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . -59.39 -34.7 72.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.819 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -59.1 -35.33 73.23 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.66 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 35' ' ' ALA . . . -61.17 -40.12 92.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.332 176.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 80.1 mt -59.64 -34.47 72.85 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.98 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -59.39 -32.0 69.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.096 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . -61.66 -37.08 82.74 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.868 172.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' LEU . . . -59.76 -37.26 78.53 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.554 176.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.21 85.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.737 174.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -58.04 -28.32 64.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.145 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -77.38 -62.49 1.64 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 171.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -142.54 123.21 2.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 164.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.55 144.38 31.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.692 0.282 . . . . 0.0 110.537 167.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -56.5 146.06 56.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.569 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.87 145.56 72.32 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.25 1.3 . . . . 0.0 111.913 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.28 -26.75 51.32 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.29 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.2 p 43.62 52.57 6.17 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.525 0.679 . . . . 0.0 112.361 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.533 179.468 . . . . . . . . 0 0 . 1 stop_ save_