data_6xry_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 6xry _Structure_validation_residue.Date_analyzed 2020-11-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 . . . . . 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 . . . . . 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -134.79 138.75 44.55 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.63 23.35 12.07 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -120.45 159.34 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.933 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.36 126.13 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.704 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.1 p -157.73 160.78 38.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -77.02 136.69 38.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.278 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -124.82 113.68 18.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.283 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -107.94 20.95 18.09 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 149.1 95.36 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.92 155.82 61.44 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.148 1.899 . . . . 0.0 112.488 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.43 154.7 43.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -145.32 55.39 2.91 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.33 155.81 55.45 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.9 1.733 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.61 140.4 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.271 0.357 . . . . 0.0 110.617 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.03 32.74 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.05 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -146.65 124.09 11.68 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.377 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.64 148.64 12.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.88 59.25 0.98 Allowed Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.165 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.93 145.95 41.12 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.034 1.823 . . . . 0.0 112.361 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.34 147.79 92.62 Favored 'Trans proline' 0 N--CA 1.503 2.046 0 C-N-CA 122.064 1.842 . . . . 0.0 111.684 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.78 150.97 68.77 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 121.882 1.721 . . . . 0.0 111.601 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.27 148.53 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.155 1.904 . . . . 0.0 112.042 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.02 -28.66 49.38 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.973 1.782 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 46.62 56.08 16.5 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.721 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.94 -20.91 50.74 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.355 2.037 . . . . 0.0 112.857 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.24 155.69 93.04 Favored Pre-proline 0 CA--C 1.543 0.702 0 O-C-N 123.3 0.375 . . . . 0.0 111.301 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -74.67 164.13 34.38 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.538 2.158 . . . . 0.0 112.075 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -127.65 65.36 66.94 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.13 -21.88 26.67 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.24 1.96 . . . . 0.0 112.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.5 133.19 69.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -66.69 159.71 27.18 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -73.47 -48.96 29.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.825 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -112.35 111.17 21.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.99 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -62.85 143.59 57.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.217 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -144.47 17.16 1.68 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.42 147.87 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.609 0.242 . . . . 0.0 110.719 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.9 mt -143.24 136.87 28.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.422 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -150.16 115.61 5.48 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.447 0.467 . . . . 0.0 110.337 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -125.51 112.75 16.59 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.935 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -63.3 -45.19 92.52 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.58 114.68 62.64 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.53 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 153.44 62.0 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.873 1.715 . . . . 0.0 111.97 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 pt -128.75 157.18 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.83 73.52 78.57 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.01 55.61 5.68 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.089 1.86 . . . . 0.0 112.203 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 59.2 159.52 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.046 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.95 68.44 8.3 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.249 1.966 . . . . 0.0 111.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -141.97 124.05 15.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.777 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp -137.11 83.03 28.64 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.289 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.99 145.28 98.08 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.279 1.986 . . . . 0.0 112.105 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.19 155.34 61.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.091 1.86 . . . . 0.0 111.886 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.9 tp -92.83 117.79 30.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -122.93 153.12 40.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.1 p -126.04 160.34 30.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.38 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.1 p -135.51 141.29 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.791 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.36 79.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -168.13 177.1 5.69 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.61 -21.84 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -61.61 140.08 58.19 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.425 0.453 . . . . 0.0 110.134 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.09 131.68 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -81.66 125.53 30.68 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.732 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.0 p -134.46 158.87 74.21 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.009 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.55 152.13 78.76 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.908 1.739 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -66.11 -23.71 52.86 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 122.222 1.948 . . . . 0.0 113.087 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -128.14 70.09 78.25 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.287 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.06 58.35 6.94 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.241 1.961 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.38 -43.79 96.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.617 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -114.82 44.29 1.8 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.168 0.508 . . . . 0.0 111.042 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -128.14 74.48 79.25 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.61 142.21 47.94 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.109 1.873 . . . . 0.0 112.675 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 173.35 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.687 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -70.41 -29.86 66.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.321 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 m -111.27 101.2 49.86 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.15 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.26 161.98 37.16 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.232 1.955 . . . . 0.0 112.475 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.78 165.14 32.0 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.259 1.973 . . . . 0.0 111.539 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.25 141.82 89.26 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.2 23.53 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.744 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.96 54.58 7.69 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 123.431 0.457 . . . . 0.0 111.457 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -82.07 146.56 14.41 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.341 2.028 . . . . 0.0 111.445 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.14 128.73 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.22 134.55 51.88 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -104.98 156.83 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.539 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -57.26 95.65 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.29 112.79 19.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.705 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -146.08 142.37 28.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.92 153.12 10.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.647 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.25 -74.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.443 0.465 . . . . 0.0 110.461 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.89 -87.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.331 0.395 . . . . 0.0 110.45 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -158.83 -27.97 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 tt -55.58 -72.8 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.86 128.15 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.746 0.307 . . . . 0.0 110.469 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.45 66.23 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t 44.87 90.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 122.257 0.223 . . . . 0.0 110.634 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.4 p -154.53 160.81 41.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.718 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.73 -47.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.27 165.05 0.03 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.7 m -129.1 154.64 46.5 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.65 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.74 157.38 24.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.22 149.32 41.23 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.268 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.3 t -167.93 114.84 0.71 Allowed 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.1 31.77 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.56 145.87 51.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.064 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.18 138.26 23.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.5 p -71.09 161.26 31.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.683 0.278 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -147.46 170.26 17.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.7 p -161.03 162.28 31.7 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 t -140.22 55.21 1.62 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.475 0.655 . . . . 0.0 109.537 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.52 155.51 33.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 pp -156.57 159.02 38.13 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.22 139.11 57.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -132.2 81.5 61.12 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.997 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.07 -24.96 44.39 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.275 1.984 . . . . 0.0 112.851 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -90.83 133.19 35.4 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.351 0.407 . . . . 0.0 110.788 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -118.01 -43.74 2.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.335 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 72.51 60.5 4.0 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.82 -40.24 94.58 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.588 0.228 . . . . 0.0 110.707 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -77.41 143.94 38.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.345 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -148.8 132.53 16.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.125 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -155.44 137.38 14.52 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.251 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -146.32 -59.52 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.277 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -72.56 147.42 45.93 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.45 147.07 48.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.2 t60 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.755 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -132.4 140.93 48.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -55.66 129.44 39.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.936 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -102.03 -6.59 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.365 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.19 102.86 11.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.2 m -139.32 156.77 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -147.06 145.78 29.78 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.462 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -149.88 146.27 27.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.504 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -105.78 18.28 22.39 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 149.04 98.04 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.0 -21.83 48.94 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.147 1.898 . . . . 0.0 112.83 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.89 76.59 0.3 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.325 0.584 . . . . 0.0 110.083 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -145.41 56.59 3.63 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.049 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.83 153.51 63.99 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.917 1.745 . . . . 0.0 112.164 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.53 36.11 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.17 151.45 35.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.137 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.383 0.427 . . . . 0.0 110.724 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.44 109.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.29 113.6 60.5 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.568 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.95 -43.67 56.13 Favored 'Trans proline' 0 N--CA 1.504 2.105 0 C-N-CA 121.942 1.761 . . . . 0.0 113.533 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.74 157.36 43.91 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.798 1.665 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.28 156.13 62.66 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.265 1.977 . . . . 0.0 112.197 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.42 156.04 62.46 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.22 1.947 . . . . 0.0 112.292 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.86 152.87 68.9 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.184 1.922 . . . . 0.0 112.128 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.89 151.37 95.13 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.39 155.35 60.22 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.216 1.944 . . . . 0.0 112.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.38 156.06 80.64 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.45 149.25 62.19 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.055 1.837 . . . . 0.0 112.235 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.12 71.52 82.2 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.88 153.8 63.61 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.186 1.924 . . . . 0.0 111.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.21 153.85 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -109.01 12.38 25.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -98.26 -0.34 44.19 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -89.95 96.36 10.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -117.97 -59.43 1.91 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -158.2 140.66 14.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.78 123.59 57.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.46 147.3 53.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.939 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.88 23.04 2.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.935 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -118.47 146.31 44.6 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -153.78 137.61 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -93.24 151.16 40.16 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.35 143.62 48.51 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.763 1.642 . . . . 0.0 111.775 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 tp -172.16 45.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.2 75.02 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.71 146.34 38.25 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 121.861 1.707 . . . . 0.0 112.641 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -137.33 149.96 67.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.79 -37.56 95.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.991 1.794 . . . . 0.0 111.262 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -150.42 161.77 41.85 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.818 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.14 148.7 38.5 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.733 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.75 146.51 95.36 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 122.194 1.929 . . . . 0.0 111.649 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.43 142.94 46.23 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.822 1.681 . . . . 0.0 111.94 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -128.1 125.07 38.49 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.945 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -117.53 136.43 53.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.2 m -136.53 129.16 30.52 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.927 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.38 126.23 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.26 175.95 38.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.86 81.33 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.026 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.8 -45.71 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t0 58.26 87.49 0.07 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.965 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.03 135.33 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.667 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -167.47 158.44 11.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.4 t -120.46 94.48 48.79 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.61 -42.56 66.42 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.105 1.87 . . . . 0.0 113.701 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.2 130.75 41.88 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.69 1.593 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.07 -50.8 67.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.51 154.55 50.27 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.866 1.711 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 54.11 58.29 5.15 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.7 t -88.82 134.37 33.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.808 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -138.57 75.76 37.37 Favored Pre-proline 0 CA--C 1.547 0.849 0 O-C-N 123.297 0.373 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 146.62 50.84 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.028 1.819 . . . . 0.0 111.739 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.24 150.84 20.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -158.17 78.51 0.82 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.7 p -81.55 156.85 70.58 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.15 153.6 57.05 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.189 1.926 . . . . 0.0 112.169 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.26 149.55 63.88 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.165 1.91 . . . . 0.0 112.227 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.96 -27.84 25.05 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.084 1.856 . . . . 0.0 113.012 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.04 155.54 25.48 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.335 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.94 71.07 1.54 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.071 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.79 -37.84 76.91 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.125 1.883 . . . . 0.0 111.989 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.56 154.68 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.628 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 57.84 166.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -107.36 26.71 9.88 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 58.6 19.7 6.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.21 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -64.98 156.04 32.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -177.64 -41.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.068 0.23 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 p -114.22 32.44 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.321 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.76 -162.48 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.578 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -155.97 156.77 35.09 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -99.56 12.03 37.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.468 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 30.4 mt -125.81 -62.19 1.2 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.4 p -143.45 145.2 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.16 0.287 . . . . 0.0 110.607 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.88 77.72 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.3 m -142.01 152.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -72.62 158.41 35.7 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.05 0.219 . . . . 0.0 110.443 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.51 158.44 34.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.91 148.14 28.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.411 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.4 p -157.79 159.19 36.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -159.72 155.64 26.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.793 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.82 -55.83 0.67 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.44 0.463 . . . . 0.0 110.546 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.91 33.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.705 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.3 p -112.2 9.66 20.1 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.464 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.59 145.53 55.51 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 120.565 0.221 . . . . 0.0 110.8 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -69.95 146.03 51.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.22 34.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.3 p -155.09 161.07 41.38 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.22 129.49 56.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.6 p -165.55 156.93 14.23 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.1 p -149.87 161.21 42.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.431 0.457 . . . . 0.0 110.459 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.71 152.43 37.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -167.25 119.06 0.91 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -103.38 142.8 33.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.3 mmt 51.69 62.91 10.17 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.38 -37.41 81.56 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.203 1.935 . . . . 0.0 112.145 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -151.48 158.84 44.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -136.07 -58.01 0.76 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.565 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.8 107.12 0.37 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.07 139.7 51.31 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.654 0.264 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -144.36 133.03 22.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.074 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -152.32 138.95 18.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.326 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -75.84 147.81 38.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.429 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -156.28 163.4 39.59 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.62 148.18 48.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -66.9 -20.31 65.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.204 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 41.51 -101.51 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -135.92 141.43 44.52 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 118.254 0.479 . . . . 0.0 110.351 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.16 -45.14 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.246 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 pt -125.66 154.24 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 123.246 0.342 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -136.78 15.14 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.011 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -120.82 30.02 7.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.937 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.98 98.09 9.62 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -88.8 86.37 6.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.914 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 153.12 75.71 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.05 -20.19 70.8 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.312 2.008 . . . . 0.0 112.932 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.61 51.59 1.51 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.376 0.608 . . . . 0.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -148.31 64.14 7.79 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.17 161.12 45.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.071 1.847 . . . . 0.0 112.141 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.74 155.46 31.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.48 139.03 31.4 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.973 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 49.49 29.08 2.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.423 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.49 137.62 54.56 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.22 159.3 26.62 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.826 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 154.4 65.03 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.144 1.896 . . . . 0.0 111.971 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.63 150.78 69.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.053 1.835 . . . . 0.0 112.22 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.16 155.6 56.42 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.367 2.045 . . . . 0.0 112.251 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.64 144.99 91.52 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.189 1.926 . . . . 0.0 111.75 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.47 147.39 58.21 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.023 1.815 . . . . 0.0 112.451 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -136.53 155.06 77.14 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.18 148.66 62.81 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.969 1.779 . . . . 0.0 111.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.28 149.05 91.49 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.679 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.74 149.02 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.121 1.881 . . . . 0.0 111.977 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -130.86 70.69 82.59 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.535 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.48 -28.15 53.98 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.132 1.888 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.14 141.68 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.975 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -128.6 122.01 29.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -147.34 124.38 11.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -111.73 172.92 6.61 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -149.02 -55.46 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.169 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.86 19.52 0.13 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.08 -16.2 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.918 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 tp 62.0 144.67 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -134.42 138.4 44.77 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.244 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 tp -136.36 123.31 21.43 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.52 0.512 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.7 p -74.58 161.71 29.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.895 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -80.58 146.59 61.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.98 155.01 43.0 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.991 1.794 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.63 -33.67 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.75 152.57 95.15 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.443 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.14 141.67 94.33 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.219 1.946 . . . . 0.0 112.09 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -130.64 86.79 51.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.205 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.93 142.76 96.67 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.122 1.882 . . . . 0.0 112.077 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -94.47 129.84 41.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.7 mt -114.82 98.76 50.69 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.82 159.38 50.79 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.095 1.863 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.56 159.4 53.71 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.22 1.947 . . . . 0.0 111.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.35 145.17 33.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -120.3 147.22 45.28 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.447 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.0 t -145.82 151.07 37.33 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.79 140.39 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.78 147.02 18.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.7 32.89 0.77 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.878 0.371 . . . . 0.0 110.885 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.5 tp -90.13 97.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -122.75 119.79 31.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -141.25 129.95 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 123.335 0.397 . . . . 0.0 111.4 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -131.23 150.11 52.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.077 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.2 m -65.73 149.18 97.69 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.195 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.3 150.31 64.71 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.993 1.795 . . . . 0.0 112.237 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.87 138.38 85.58 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.189 1.926 . . . . 0.0 111.715 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -90.72 -57.79 0.25 Allowed Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.137 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.89 -49.27 0.56 Allowed 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.834 1.69 . . . . 0.0 113.468 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 179.49 171.58 0.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.227 0.329 . . . . 0.0 110.692 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.9 p -168.44 156.1 8.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.624 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -73.31 154.98 90.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.02 145.43 85.75 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.156 1.904 . . . . 0.0 111.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.97 142.28 43.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -111.53 127.3 55.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.825 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -134.91 158.86 74.05 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.69 146.81 90.65 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.334 2.022 . . . . 0.0 111.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 153.85 63.55 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.104 1.869 . . . . 0.0 112.158 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.1 157.43 57.66 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.283 1.988 . . . . 0.0 112.094 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 72.6 168.03 0.31 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.205 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.53 156.96 32.74 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.9 -28.13 58.61 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.152 1.901 . . . . 0.0 112.638 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.4 t -145.55 -64.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.228 0.33 . . . . 0.0 110.199 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -152.65 136.08 15.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -103.29 26.36 8.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.909 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.91 40.53 30.51 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.167 0.508 . . . . 0.0 110.634 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -96.23 40.1 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.21 -42.31 98.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.103 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.54 140.64 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.575 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.02 155.92 14.35 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.44 0.463 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -117.74 87.85 2.8 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.917 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -120.1 1.02 10.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.828 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.9 tp 70.75 -66.9 0.27 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.637 0.375 . . . . 0.0 110.191 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.4 156.89 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.94 133.18 12.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.95 -29.99 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.836 -0.182 . . . . 0.0 111.09 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.6 p -150.87 162.36 40.93 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.433 0.458 . . . . 0.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.38 56.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.06 152.7 30.79 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.3 p -84.22 156.19 22.14 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.36 0.412 . . . . 0.0 110.375 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 154.52 32.1 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -132.55 -21.47 2.24 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.892 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 61.42 118.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -115.81 68.19 0.72 Allowed 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.409 0.623 . . . . 0.0 109.33 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.49 146.06 55.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.903 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -150.33 160.26 43.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -93.9 -169.9 38.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -147.1 145.47 29.61 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -69.9 125.6 27.23 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.187 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -157.27 140.15 15.15 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.3 m -107.13 -27.02 10.85 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.863 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.75 34.64 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.66 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -137.36 144.85 42.71 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.275 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.3 111.03 22.38 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.187 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.4 mtp -136.24 153.63 76.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.723 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.89 153.91 63.54 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.188 1.925 . . . . 0.0 111.852 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -105.43 136.11 45.59 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -113.89 138.0 50.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.732 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.21 165.62 38.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 tp -147.02 120.05 8.79 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -145.52 129.44 17.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.911 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -149.59 127.76 12.04 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.953 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -136.42 143.27 43.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -132.92 97.82 4.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -124.91 17.59 8.57 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.788 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -132.68 144.7 50.5 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.683 0.278 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.729 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -47.66 154.27 0.49 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -147.3 165.29 30.58 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.123 0.264 . . . . 0.0 110.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tp -128.27 143.15 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.154 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -76.54 136.48 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.343 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -111.1 118.76 36.88 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -63.51 -40.98 98.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.684 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -142.08 116.32 9.49 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.415 0.447 . . . . 0.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.23 -34.84 14.11 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.431 0.457 . . . . 0.0 110.694 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 155.14 91.36 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.84 143.25 96.03 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 122.159 1.906 . . . . 0.0 111.973 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 145.59 53.79 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -137.32 57.29 14.11 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.17 157.0 38.0 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.871 1.714 . . . . 0.0 112.021 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.81 8.63 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 109.91 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.75 137.81 5.76 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.798 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -154.38 148.26 25.56 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.685 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.46 118.83 24.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.946 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -168.02 167.62 6.57 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.687 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.85 160.47 49.57 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.086 1.857 . . . . 0.0 111.506 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.34 147.61 83.25 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.958 1.772 . . . . 0.0 111.945 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -72.44 149.8 50.85 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.021 1.814 . . . . 0.0 112.649 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.54 149.73 85.27 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.237 1.958 . . . . 0.0 111.807 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.43 -18.47 60.04 Favored 'Trans proline' 0 N--CA 1.504 2.118 0 C-N-CA 122.066 1.844 . . . . 0.0 112.582 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.78 69.33 35.33 Favored Pre-proline 0 CA--C 1.548 0.879 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.75 153.96 64.1 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.255 1.97 . . . . 0.0 112.321 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.37 155.8 79.49 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.301 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.68 140.84 84.6 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.177 1.918 . . . . 0.0 112.063 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.06 151.5 94.86 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.012 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.12 161.32 45.0 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.269 1.979 . . . . 0.0 112.025 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.86 157.84 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -61.01 -44.61 97.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.058 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -117.58 126.1 51.96 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.466 0.479 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -110.6 77.44 1.04 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.187 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -166.88 170.99 11.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.699 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -151.72 103.21 2.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.93 61.41 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.642 0.734 . . . . 0.0 109.409 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.6 mt 59.7 68.94 0.74 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -107.33 40.85 1.6 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.65 136.84 56.82 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.0 p -118.09 15.41 14.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -70.11 135.52 87.15 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 118.944 -0.55 . . . . 0.0 109.811 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.05 -23.2 34.27 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.703 1.602 . . . . 0.0 113.032 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp -140.78 142.55 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.215 0.322 . . . . 0.0 111.08 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.87 76.96 77.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.844 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.94 96.94 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.404 2.069 . . . . 0.0 112.517 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.61 156.35 78.79 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.255 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.22 143.34 48.33 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.952 1.768 . . . . 0.0 112.566 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.01 -40.81 96.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.717 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.92 154.93 45.43 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.547 0.529 . . . . 0.0 110.321 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.99 141.66 93.94 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.144 1.896 . . . . 0.0 111.385 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.54 120.01 6.0 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.74 1.627 . . . . 0.0 112.594 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.49 -38.0 89.51 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.566 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -47.62 155.2 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.5 m -95.18 127.28 41.1 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 m -49.36 143.75 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.995 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.4 142.58 44.5 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -162.01 163.99 28.53 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.667 0.27 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.4 mm -109.21 -32.67 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.721 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.64 88.04 1.53 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.18 138.85 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.42 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.94 134.82 55.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.092 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.6 m -132.5 153.42 81.16 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.306 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.05 164.38 34.55 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.461 2.107 . . . . 0.0 112.197 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 155.66 68.57 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.112 1.875 . . . . 0.0 111.848 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -135.24 84.03 36.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.07 148.28 56.29 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.095 1.863 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.83 -42.35 24.49 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.577 0.548 . . . . 0.0 110.275 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.1 p -172.57 159.92 4.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.672 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.4 62.83 52.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 123.057 0.223 . . . . 0.0 110.618 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.61 155.95 31.72 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.387 2.058 . . . . 0.0 112.305 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.4 89.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.37 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.5 -38.74 85.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.54 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 m -75.43 146.76 81.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.28 155.23 30.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.134 1.889 . . . . 0.0 112.653 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.8 170.77 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.284 1.989 . . . . 0.0 112.111 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -49.62 135.49 34.03 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.106 1.871 . . . . 0.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.45 -28.87 69.53 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.5 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.74 53.15 13.52 Favored Pre-proline 0 CA--C 1.556 1.186 0 O-C-N 123.258 0.349 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.84 -26.19 22.75 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.058 1.839 . . . . 0.0 112.368 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.71 136.52 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -156.03 82.62 1.0 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 58.33 167.27 0.05 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.131 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 52.76 48.84 21.61 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.382 0.61 . . . . 0.0 109.823 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -137.72 104.04 5.19 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -70.65 131.2 43.56 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.361 0.413 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.8 m -82.24 173.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.13 152.1 39.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -49.33 125.6 11.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.387 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.33 -39.26 78.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.55 128.48 36.41 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.285 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.0 t 35.99 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 123.809 0.693 . . . . 0.0 111.704 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.36 -178.28 42.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.9 t 54.65 85.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.904 0.383 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 t -64.3 141.19 58.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.12 27.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.16 28.88 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m 61.33 143.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.34 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.36 151.17 27.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.533 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.02 16.11 1.55 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.269 0.355 . . . . 0.0 111.737 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.62 30.81 6.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.715 0.293 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.8 m -140.07 135.52 32.68 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.51 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.348 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -130.59 143.92 51.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 166.18 47.01 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.7 m -129.84 146.3 51.57 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.4 tp -136.69 69.23 1.42 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.307 0.575 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.3 m -146.76 137.81 24.09 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.1 p -111.96 -26.57 8.83 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.423 0.452 . . . . 0.0 111.369 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.79 73.78 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.414 0.446 . . . . 0.0 110.16 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt 22.83 94.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.658 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.0 mt -124.75 131.0 53.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.845 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.0 ttm -148.57 67.0 9.38 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.04 149.54 46.83 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.241 1.961 . . . . 0.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -142.3 93.48 2.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.887 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 54.25 177.44 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.627 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.77 74.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 85.0 mt -130.94 159.04 38.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.924 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -61.43 -39.23 90.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.639 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 43.6 m80 59.23 38.9 23.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.196 0.522 . . . . 0.0 110.563 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -62.52 139.86 58.61 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.06 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -104.02 145.29 30.37 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -124.41 137.31 54.47 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -157.65 164.38 37.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.527 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -89.61 43.2 1.13 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -139.96 142.93 36.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.909 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm 67.48 122.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.985 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.7 tt -139.66 152.07 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.172 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.1 p -150.59 160.23 43.95 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -152.11 137.27 17.4 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.0 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 56.13 96.96 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.093 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.39 -40.85 7.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.7 117.01 67.97 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.4 -24.32 43.15 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 121.803 1.669 . . . . 0.0 112.166 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.65 35.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.09 64.87 13.14 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.35 -30.41 81.03 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.282 1.988 . . . . 0.0 112.584 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.42 141.67 47.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.978 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.25 162.98 38.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.496 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -126.73 92.97 3.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.21 149.0 4.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.91 25.41 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.603 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.18 152.79 63.49 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.412 2.075 . . . . 0.0 111.62 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.75 151.51 82.36 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.848 1.698 . . . . 0.0 111.91 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.78 153.61 64.13 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.21 1.94 . . . . 0.0 112.538 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.71 146.87 90.58 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.214 1.942 . . . . 0.0 111.932 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.47 152.26 65.55 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.095 1.864 . . . . 0.0 112.317 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -129.51 77.1 77.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.26 -25.56 71.99 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.189 1.926 . . . . 0.0 112.535 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -62.0 133.64 94.05 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.025 -0.512 . . . . 0.0 109.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.5 148.5 60.41 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.892 1.728 . . . . 0.0 112.12 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -74.71 157.11 86.26 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.3 153.73 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.175 1.917 . . . . 0.0 111.949 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.68 134.68 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.439 0.462 . . . . 0.0 110.364 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.16 141.7 55.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -64.45 -43.33 94.61 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.444 0.465 . . . . 0.0 110.239 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -93.32 -178.85 4.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.144 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 53.19 60.59 3.65 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.313 0.578 . . . . 0.0 110.715 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -134.24 117.16 16.16 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.71 161.79 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.316 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.85 126.43 41.11 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -138.56 114.79 10.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.35 138.09 50.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -150.68 156.94 42.33 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -74.74 157.58 85.7 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.54 144.85 96.7 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.682 1.588 . . . . 0.0 112.067 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.97 126.98 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.59 151.13 66.91 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.44 156.95 53.87 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.392 2.061 . . . . 0.0 112.588 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -127.93 151.34 75.6 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.93 139.41 36.12 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.005 1.803 . . . . 0.0 112.447 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -169.26 147.02 3.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.111 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 tt -102.69 120.69 52.04 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.07 152.4 76.54 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.949 1.766 . . . . 0.0 112.185 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.59 111.18 2.27 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.929 1.753 . . . . 0.0 112.388 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.5 mt -145.2 136.06 24.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.75 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.81 -34.29 76.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.292 0.37 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m 43.39 78.05 0.06 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.135 0.493 . . . . 0.0 111.485 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.93 156.48 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.961 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.59 36.84 0.99 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.86 103.8 5.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.546 0.212 . . . . 0.0 110.586 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.44 -44.61 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t0 67.92 139.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.54 -62.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -170.31 15.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.0 -60.88 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.028 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.71 117.67 4.93 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 121.603 1.535 . . . . 0.0 112.168 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.4 -33.63 13.82 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.794 1.662 . . . . 0.0 112.272 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -71.32 148.37 93.56 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.9 154.82 53.5 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.189 1.926 . . . . 0.0 112.174 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -122.03 123.51 41.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.884 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.2 p -146.49 164.61 31.96 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.563 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.85 73.57 75.85 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 153.23 74.44 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.134 1.889 . . . . 0.0 111.94 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.83 159.67 38.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -63.17 -38.87 92.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 t -124.74 132.07 24.24 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 118.911 -0.566 . . . . 0.0 109.974 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.35 149.72 69.86 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 121.698 1.598 . . . . 0.0 112.351 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.26 158.35 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.269 1.979 . . . . 0.0 112.311 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.18 155.39 64.65 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.137 1.892 . . . . 0.0 111.83 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.34 133.52 54.4 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.13 72.0 14.64 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.596 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.16 136.6 75.99 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 122.118 1.878 . . . . 0.0 112.151 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.33 -30.93 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -60.88 143.12 55.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.897 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.87 72.3 6.55 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 53.58 15.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -69.92 -51.71 30.69 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.597 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -113.0 91.28 3.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.431 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.34 152.33 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 50.83 63.64 2.15 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 111.036 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.86 -43.89 81.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -177.97 -36.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.197 0.311 . . . . 0.0 110.997 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.7 mt -73.41 -46.94 45.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.358 0.599 . . . . 0.0 110.628 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 p -108.56 159.52 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.513 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.38 24.46 0.43 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.884 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.34 133.15 62.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.3 m -63.63 -43.13 97.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.319 0.387 . . . . 0.0 110.488 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -167.13 158.85 12.48 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.516 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.32 145.09 27.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.3 p -158.82 163.57 36.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.02 36.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.731 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.11 28.04 1.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.561 0.538 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.02 128.82 25.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.059 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -160.11 145.21 14.98 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.5 140.28 32.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.51 0.506 . . . . 0.0 110.103 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -162.24 159.22 25.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -151.98 156.53 26.75 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.6 m -161.16 106.83 1.38 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.15 -45.49 91.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.975 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.1 p -116.7 -23.48 8.14 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.724 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.1 m 62.77 38.77 11.51 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.02 135.23 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.7 mt -142.8 141.45 31.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.407 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.82 139.89 45.73 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.388 0.43 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -106.13 149.94 38.75 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.06 75.32 5.08 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.293 1.996 . . . . 0.0 112.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.72 -40.41 94.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.37 119.19 23.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.21 139.07 6.94 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.9 tt -177.81 108.17 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.65 159.53 38.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -156.63 162.71 39.85 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -155.02 140.8 18.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -133.19 148.64 52.05 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.504 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.53 129.86 17.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.71 138.19 57.8 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.18 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 53.17 72.88 0.4 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -105.65 130.64 53.64 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 pt -55.23 141.35 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.541 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.7 mt -123.8 132.91 70.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.913 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -114.07 113.33 24.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.143 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -136.56 139.72 42.39 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.33 -29.64 14.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.426 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.09 23.55 7.2 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.658 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.53 117.59 67.28 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.324 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.25 -14.13 20.7 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.227 1.952 . . . . 0.0 113.504 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.75 92.84 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.805 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.27 61.32 1.03 Allowed Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -61.25 -28.71 85.23 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 -58.16 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.298 0.374 . . . . 0.0 110.248 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 50.31 20.14 0.62 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.999 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -177.14 176.02 1.44 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.89 148.65 22.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.23 87.73 51.4 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.598 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.39 150.36 75.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.272 1.981 . . . . 0.0 112.158 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.25 151.09 53.96 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.118 1.879 . . . . 0.0 111.966 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 149.42 51.73 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.223 1.948 . . . . 0.0 112.135 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.7 154.14 71.9 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.151 1.901 . . . . 0.0 112.167 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.36 140.12 87.89 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 122.185 1.923 . . . . 0.0 112.256 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.11 62.35 56.25 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.08 150.26 66.03 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.185 1.923 . . . . 0.0 112.153 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 60.87 152.79 0.1 Allowed Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.76 146.79 91.23 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.106 1.871 . . . . 0.0 112.17 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.55 70.06 79.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.057 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.94 -17.18 36.92 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.418 2.079 . . . . 0.0 112.995 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.73 149.22 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.584 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 t 60.52 32.21 20.43 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.76 -47.18 87.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.741 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -56.96 143.84 36.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.078 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -153.58 159.38 42.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.738 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.7 131.03 12.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.78 164.1 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.454 0.471 . . . . 0.0 110.981 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -115.43 164.25 14.55 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -146.58 144.94 29.91 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.0 tp -154.33 127.74 8.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.744 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -131.17 157.46 43.1 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.93 123.26 65.26 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.044 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.97 147.33 73.86 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.8 1.667 . . . . 0.0 112.22 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.7 mt -122.31 132.18 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.34 60.89 14.84 Favored Pre-proline 0 CA--C 1.551 1.003 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.974 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.19 145.98 62.22 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.96 1.773 . . . . 0.0 112.155 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -73.79 153.66 89.22 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.23 152.06 72.07 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.051 1.834 . . . . 0.0 111.6 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.43 -45.38 93.86 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.416 0.448 . . . . 0.0 110.429 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 tp -162.61 138.86 5.75 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.49 150.05 78.07 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 121.979 1.786 . . . . 0.0 111.586 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 -40.69 63.37 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 121.855 1.703 . . . . 0.0 111.709 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -170.46 -72.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.22 132.56 41.65 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.663 0.268 . . . . 0.0 110.451 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.2 t -124.42 -48.53 1.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.706 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -126.44 129.01 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.35 147.0 18.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 59.76 74.18 0.45 Allowed 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 90.6 mt -58.56 -50.74 77.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.795 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -172.03 159.85 5.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.037 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.22 155.02 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -118.98 -91.44 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.307 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.6 p 39.9 66.06 3.38 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 117.836 0.289 . . . . 0.0 111.423 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.66 107.28 0.17 Allowed 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.967 1.778 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.14 124.09 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 122.514 2.142 . . . . 0.0 112.008 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -48.07 -44.09 58.97 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.705 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.89 -44.77 30.95 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 121.503 1.469 . . . . 0.0 112.105 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -127.0 119.37 26.5 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.0 p -158.71 175.66 13.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.267 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -66.66 162.84 47.46 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -49.61 150.01 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.224 1.949 . . . . 0.0 112.196 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.55 86.55 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.301 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -79.18 76.38 5.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -152.57 140.78 13.61 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.81 148.68 58.81 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.808 1.672 . . . . 0.0 111.729 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -71.57 147.19 51.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.013 1.808 . . . . 0.0 112.061 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.3 -30.83 23.75 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.885 1.723 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.67 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 45.41 55.89 14.85 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.183 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.29 138.75 36.83 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.94 1.76 . . . . 0.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.15 -11.03 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.008 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 57.54 101.09 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -151.42 97.26 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 54.66 54.04 9.77 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.653 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.72 -59.0 6.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 44.31 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.27 136.22 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.13 93.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.895 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -167.03 147.35 5.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.576 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -140.33 50.98 1.68 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.205 0.526 . . . . 0.0 110.621 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -72.47 149.79 43.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.68 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -130.96 146.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.499 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.29 -176.44 32.39 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.9 t -115.41 122.75 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.6 p -123.46 -35.25 2.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.839 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.93 155.53 34.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.366 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.46 158.63 37.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.1 t -156.65 59.29 0.55 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.429 0.633 . . . . 0.0 110.793 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.86 157.55 36.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.07 39.64 2.52 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.707 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 11.02 27.24 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.909 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.3 p -159.72 158.62 31.65 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.21 175.9 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -62.46 168.49 3.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 176.32 179.44 46.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -123.16 144.27 49.46 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.642 0.258 . . . . 0.0 110.771 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.17 127.26 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.297 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.3 m -139.22 119.69 13.94 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.0 m -100.24 6.98 44.75 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.34 0.4 . . . . 0.0 111.943 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.09 151.1 44.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.59 0.233 . . . . 0.0 110.741 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.4 tp -152.81 -38.95 0.1 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.601 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.0 mp 58.45 16.73 4.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.669 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.7 mtp -135.98 152.24 75.26 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.481 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.24 144.99 47.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.031 1.821 . . . . 0.0 111.599 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -90.02 -54.71 3.92 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.67 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -129.75 157.51 41.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.86 -131.44 6.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.01 138.68 54.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.625 0.25 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -127.3 129.04 46.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.091 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.23 -43.5 98.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.6 t60 58.69 53.78 5.75 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -153.48 141.83 20.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.267 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -131.16 143.73 50.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.285 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.54 -46.59 89.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.76 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.247 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -34.43 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -93.58 132.25 38.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.354 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.6 mt 58.34 100.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.88 -56.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.923 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -124.08 -64.78 1.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.262 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 57.7 34.1 24.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.001 0.429 . . . . 0.0 110.378 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -132.07 44.81 2.85 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.058 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.23 86.57 2.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.725 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.64 147.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.307 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.02 149.66 59.23 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.142 1.894 . . . . 0.0 112.355 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 25.3 11.93 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.09 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.52 63.07 11.95 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.47 142.63 58.27 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.816 1.677 . . . . 0.0 112.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.15 158.78 43.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.467 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.14 150.3 37.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -139.46 162.78 34.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.93 137.05 47.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.952 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.5 56.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.083 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -57.22 153.05 41.82 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.465 2.11 . . . . 0.0 111.904 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.0 145.0 54.53 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 122.205 1.937 . . . . 0.0 112.38 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.73 160.27 49.96 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.379 2.053 . . . . 0.0 112.436 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.56 145.26 81.65 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.231 1.954 . . . . 0.0 111.835 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.1 140.31 86.66 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.002 1.801 . . . . 0.0 112.462 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -123.48 92.41 48.82 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.979 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.74 149.86 73.56 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 121.977 1.785 . . . . 0.0 112.232 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -141.89 157.55 64.13 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.06 158.12 57.61 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.077 1.851 . . . . 0.0 111.92 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -58.44 136.07 85.54 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.027 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.75 151.37 69.13 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 121.969 1.779 . . . . 0.0 112.382 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.93 13.1 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.831 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.9 t 58.89 53.59 5.63 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.588 0.709 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -138.0 123.61 19.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -88.12 -178.35 5.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.01 -63.63 1.06 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.434 0.459 . . . . 0.0 109.797 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -141.34 -63.69 0.45 Allowed 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.92 142.59 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -120.13 149.12 42.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 178.53 -68.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.33 27.9 4.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.813 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -110.08 2.87 19.78 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.32 144.13 86.52 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 119.188 -0.434 . . . . 0.0 109.965 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.66 151.82 47.16 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.914 1.742 . . . . 0.0 112.387 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.15 92.31 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.269 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.97 62.12 12.81 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.479 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.66 149.87 80.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.303 2.002 . . . . 0.0 112.39 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -126.52 84.51 62.25 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.736 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.8 144.48 98.34 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 122.493 2.128 . . . . 0.0 112.753 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -74.93 153.83 38.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mp -100.1 158.69 31.57 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.06 148.75 75.57 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.23 1.953 . . . . 0.0 112.269 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.18 161.71 44.96 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.29 1.993 . . . . 0.0 112.284 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.7 146.85 43.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 53.75 179.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.3 m -128.01 127.37 43.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.969 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.07 157.53 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.438 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.48 106.38 0.31 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -112.33 103.33 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.8 tt -89.81 84.69 2.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 109.913 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.93 169.59 17.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.966 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.69 105.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -140.62 128.84 22.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.407 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 52.68 75.88 0.59 Allowed Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.78 157.3 60.82 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.294 1.996 . . . . 0.0 112.179 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.11 147.59 74.6 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.101 1.867 . . . . 0.0 112.051 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -151.99 -62.91 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.116 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.9 158.77 45.94 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.982 1.788 . . . . 0.0 111.71 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.51 131.49 37.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -163.29 141.32 7.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.224 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -141.53 72.74 25.22 Favored Pre-proline 0 CA--C 1.548 0.893 0 O-C-N 123.183 0.302 . . . . 0.0 110.786 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.33 149.72 51.38 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.124 1.883 . . . . 0.0 111.7 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.97 145.14 20.65 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.363 0.414 . . . . 0.0 111.251 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -134.75 146.72 49.65 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.882 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.2 m -110.25 103.2 53.39 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.4 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.05 149.47 84.34 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.166 1.911 . . . . 0.0 111.808 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.74 153.36 69.1 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.101 1.868 . . . . 0.0 111.786 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.27 148.03 67.36 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.016 1.811 . . . . 0.0 112.221 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.63 -48.6 0.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -169.1 160.13 7.82 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.132 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.75 74.85 4.23 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.237 1.958 . . . . 0.0 112.042 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.9 122.58 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.648 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -145.64 126.67 14.6 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.83 163.48 12.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -64.44 96.74 0.17 Allowed 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -125.71 103.2 7.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.96 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mp0 -96.19 -46.55 6.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.293 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.2 132.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.409 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.74 91.54 3.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -154.85 138.88 16.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.354 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -144.92 46.3 1.35 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.232 0.539 . . . . 0.0 110.586 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.57 118.85 10.75 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.25 -33.28 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.376 0.422 . . . . 0.0 110.961 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.78 -127.86 9.14 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.95 167.03 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.665 0.269 . . . . 0.0 110.681 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.9 p -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.61 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.44 -64.38 0.88 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.24 30.69 1.51 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.1 t -165.73 -179.36 5.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.695 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.2 138.8 42.26 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -138.87 -32.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.57 0.544 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 63.73 66.53 0.67 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.438 0.637 . . . . 0.0 110.38 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.4 p -157.76 158.54 35.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.953 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.17 142.94 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.352 0.408 . . . . 0.0 110.88 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -108.25 132.21 53.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -168.38 164.35 37.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -155.42 165.4 36.72 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.691 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.16 146.65 52.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.368 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -143.51 149.41 37.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.2 m -125.73 122.2 35.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.4 90.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.26 122.45 16.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -120.41 151.79 38.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.9 ttm -126.21 84.93 60.74 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.93 160.3 43.42 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.39 2.06 . . . . 0.0 112.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.24 -41.24 92.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.918 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.56 103.49 7.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.627 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.28 136.72 28.63 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 17.4 tp -146.29 -47.72 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.508 -0.346 . . . . 0.0 110.559 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.78 93.33 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.62 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -110.46 118.72 37.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.42 147.64 47.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.611 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -65.83 -21.33 66.47 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.74 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -65.54 138.39 58.03 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -156.69 163.87 38.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.782 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 85.14 1.28 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -60.63 -46.96 88.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.413 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.85 153.25 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 111.701 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.07 -10.48 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.399 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.0 t -65.63 142.2 58.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -45.35 145.11 1.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.08 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.88 52.85 1.55 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -66.95 -40.37 87.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.837 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.43 148.21 98.71 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-O 119.154 -0.451 . . . . 0.0 110.131 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.8 139.33 88.65 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.944 1.763 . . . . 0.0 112.354 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.44 145.92 50.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -155.27 -60.69 0.02 OUTLIER Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -75.34 146.78 31.86 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 121.4 1.4 . . . . 0.0 112.376 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.88 20.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.57 72.53 1.04 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.258 0.551 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -149.43 141.35 23.77 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.43 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.18 134.52 31.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.97 158.84 72.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.923 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.33 149.72 71.88 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.355 2.037 . . . . 0.0 111.852 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.67 151.81 74.65 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.004 1.803 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.42 154.85 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.188 1.925 . . . . 0.0 112.428 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.99 157.31 58.35 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.134 1.889 . . . . 0.0 112.039 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.17 149.65 70.91 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.159 1.906 . . . . 0.0 112.103 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -65.89 126.35 91.62 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.35 96.64 Favored 'Trans proline' 0 N--CA 1.505 2.148 0 C-N-CA 121.861 1.707 . . . . 0.0 111.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.4 156.16 67.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.57 -28.16 69.87 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 121.928 1.752 . . . . 0.0 112.18 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.9 150.5 90.51 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.304 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.95 147.51 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.009 1.806 . . . . 0.0 111.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.6 -46.79 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.832 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.3 p -155.2 165.04 37.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -129.19 -34.6 1.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.92 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.23 169.94 0.24 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -88.69 -43.94 10.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.59 150.01 32.55 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 p -130.14 145.03 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.57 84.12 1.97 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.246 0.546 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.05 -39.86 95.02 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.22 137.37 37.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.4 p -108.64 19.41 19.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.579 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 148.32 98.27 Favored Pre-proline 0 C--O 1.236 0.393 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.37 -24.72 36.71 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.74 1.626 . . . . 0.0 113.006 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.79 156.18 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -174.6 -58.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.108 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -71.42 150.79 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.026 1.817 . . . . 0.0 112.566 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.53 150.39 91.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.101 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -59.76 87.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.84 1.693 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.79 -38.24 83.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.233 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.13 -54.24 57.72 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.545 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 157.94 54.4 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.012 1.808 . . . . 0.0 112.266 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.06 157.08 60.98 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.254 1.969 . . . . 0.0 111.706 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.44 107.27 19.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.285 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -74.46 140.76 44.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.539 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.4 m 71.17 96.42 0.07 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.34 -40.11 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.999 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.44 95.56 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.2 t0 59.32 62.59 1.76 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.613 0.72 . . . . 0.0 109.175 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 20.2 tt -57.65 -36.32 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.043 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -158.22 165.2 35.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.777 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.4 129.82 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.671 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -144.15 117.7 9.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.65 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.5 m -128.26 153.18 78.84 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.121 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.26 166.01 31.1 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.538 2.159 . . . . 0.0 112.146 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -50.7 -36.34 50.66 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.149 1.9 . . . . 0.0 111.739 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 51.87 62.28 11.05 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.14 -21.26 42.66 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 122.247 1.965 . . . . 0.0 112.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -138.86 135.06 34.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.8 m -151.62 133.88 15.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.749 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -71.03 149.87 94.81 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.123 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 139.24 87.81 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.043 1.828 . . . . 0.0 112.213 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.21 142.67 30.13 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.316 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -63.38 -42.95 98.85 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.364 0.415 . . . . 0.0 110.476 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.7 p -152.78 152.12 27.89 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.543 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.92 148.27 35.46 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.211 1.941 . . . . 0.0 111.904 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.77 141.84 27.86 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.882 1.722 . . . . 0.0 111.819 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.55 140.79 24.37 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.845 1.697 . . . . 0.0 112.13 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -166.16 149.05 7.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -167.14 -55.32 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.11 126.34 21.83 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 C-N-CA 121.499 1.466 . . . . 0.0 112.269 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.67 -46.02 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -153.74 125.33 7.62 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.969 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -95.39 162.42 13.67 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.328 0.392 . . . . 0.0 110.083 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -81.28 54.41 2.28 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.599 0.714 . . . . 0.0 109.981 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.56 139.03 48.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.148 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -141.74 147.46 37.42 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.6 158.43 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.34 99.96 8.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.178 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.2 142.78 5.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.556 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -124.07 34.22 5.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.2 mt -82.07 -176.36 6.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.88 156.23 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -84.04 168.57 45.13 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.97 99.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 178.85 3.07 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.246 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -142.35 -74.51 0.29 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.145 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.0 55.02 2.63 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.564 0.697 . . . . 0.0 110.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.1 p -69.98 162.8 27.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.73 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.9 155.91 39.06 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -165.82 60.77 0.11 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.71 -67.2 0.78 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -172.93 -62.06 0.02 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.172 0.295 . . . . 0.0 110.426 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 54.64 -178.48 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 61.68 83.03 0.16 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.622 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.36 176.42 50.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -149.72 149.18 30.19 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.665 0.269 . . . . 0.0 110.792 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 tp 60.87 112.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.8 m -122.56 -62.0 1.41 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.099 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.0 t -158.19 149.7 21.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.91 175.83 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.546 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.1 tp -174.63 62.29 0.02 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.75 126.08 42.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.446 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.8 mmm -130.32 72.91 81.73 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.146 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.17 148.47 62.45 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.112 1.875 . . . . 0.0 112.396 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.59 -24.89 62.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.2 146.03 54.98 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.91 66.48 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.01 -40.31 97.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.593 0.235 . . . . 0.0 110.382 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.77 36.26 25.97 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -130.67 107.98 9.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.53 19.41 13.31 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.698 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -93.83 133.63 37.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.6 0.238 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 159.79 38.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -65.33 -39.76 92.82 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.242 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.555 -179.698 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -144.64 23.46 1.59 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -78.19 -24.17 47.26 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.576 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.38 129.67 36.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.028 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.5 tt -135.85 142.18 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.962 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.4 m -160.03 98.19 1.31 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.86 -41.41 74.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 179.64 8.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.561 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.78 -40.81 7.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.68 154.86 71.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.03 62.29 8.49 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.167 1.911 . . . . 0.0 111.781 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.64 95.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -163.39 66.43 1.57 Allowed Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -59.6 140.02 91.79 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.026 1.817 . . . . 0.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.3 149.29 17.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.728 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.57 148.7 21.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.256 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -138.47 91.51 2.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.81 137.36 32.48 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.206 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.22 155.32 39.8 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.197 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.0 157.11 55.22 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.319 2.012 . . . . 0.0 111.934 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.21 153.29 66.98 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.024 1.816 . . . . 0.0 112.048 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 154.25 63.12 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.161 1.907 . . . . 0.0 112.398 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.95 157.37 58.24 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.307 2.005 . . . . 0.0 112.055 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.26 147.44 66.1 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.08 1.853 . . . . 0.0 112.08 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -126.71 102.66 25.29 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.179 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 151.25 71.45 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 121.826 1.684 . . . . 0.0 111.813 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -129.51 71.3 82.1 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.762 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.14 145.64 97.07 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.15 1.9 . . . . 0.0 111.726 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -130.34 74.62 80.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.74 154.08 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.257 1.971 . . . . 0.0 112.076 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.21 154.43 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.407 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 t -171.47 -50.77 0.02 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -65.43 -36.46 83.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.316 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -89.4 177.11 6.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.787 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 51.62 39.6 25.37 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.819 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -170.46 47.45 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.67 119.42 57.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.505 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.59 146.25 47.61 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.564 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 64.46 101.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.71 150.48 29.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.716 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -64.27 -34.31 77.82 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.211 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -80.85 151.36 70.71 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.83 -19.23 47.07 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.902 1.735 . . . . 0.0 112.769 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 tt -109.16 152.61 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.971 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.38 84.32 60.06 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.35 159.18 50.04 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.492 2.128 . . . . 0.0 111.603 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -127.9 156.62 75.68 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.28 143.52 97.12 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.208 1.939 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.47 165.1 24.29 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt 52.01 65.02 6.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.112 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.92 148.61 66.46 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 122.426 2.084 . . . . 0.0 112.384 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 161.75 44.81 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.255 1.97 . . . . 0.0 112.061 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.58 145.19 47.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.955 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -68.28 -38.94 82.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -150.83 160.03 44.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.96 158.36 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.038 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.25 125.12 31.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -166.99 157.53 11.66 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.66 -43.46 90.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -149.13 179.77 7.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.383 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.7 t -61.15 -42.58 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 t80 45.48 91.62 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t -67.27 121.82 80.26 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.12 160.74 44.87 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 121.98 1.787 . . . . 0.0 112.02 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.28 147.98 73.49 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.247 1.965 . . . . 0.0 111.741 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.14 54.52 15.94 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 -45.22 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 121.784 1.656 . . . . 0.0 111.628 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 59.91 146.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -61.93 -33.48 74.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -130.26 82.81 64.73 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.825 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.16 150.7 60.17 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.178 1.919 . . . . 0.0 112.337 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.56 -36.88 0.95 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.595 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -129.04 149.11 50.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 p -146.34 155.65 49.96 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.68 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.39 155.22 55.76 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.259 1.973 . . . . 0.0 112.261 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.75 152.29 64.07 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.135 1.89 . . . . 0.0 112.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.2 141.45 96.63 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.189 1.926 . . . . 0.0 112.57 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.54 117.36 1.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.886 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.46 65.72 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.625 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.3 163.11 12.88 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.221 1.947 . . . . 0.0 111.516 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.12 132.15 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -75.28 154.01 37.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.39 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -169.4 168.05 9.71 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.276 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -50.73 -62.22 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.21 0.319 . . . . 0.0 111.082 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.16 143.08 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.504 0.502 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.96 -56.14 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.3 m -51.93 121.68 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.749 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.73 142.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.244 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.77 52.33 2.1 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.4 0.619 . . . . 0.0 109.982 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -117.45 -16.67 10.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.875 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 tt 41.53 84.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 111.374 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.52 -12.58 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.682 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.0 64.1 1.19 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.92 -57.92 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.7 p -77.2 166.11 23.65 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.163 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.67 114.36 5.31 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.418 0.449 . . . . 0.0 110.569 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -163.57 150.0 11.87 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.64 49.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.261 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -156.24 159.36 38.84 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.03 20.9 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.67 148.81 31.45 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -148.11 147.54 29.62 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.09 147.13 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.501 0.5 . . . . 0.0 110.789 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.8 132.09 49.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.826 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.55 47.14 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -156.9 162.4 39.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.533 0.206 . . . . 0.0 110.464 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -156.02 148.83 24.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.872 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -147.02 153.14 39.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.2 t -126.17 -165.81 1.49 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 123.558 0.536 . . . . 0.0 109.825 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.89 153.57 33.3 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.48 0.181 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.18 125.11 18.42 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.706 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.2 mt -114.1 147.25 39.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 76.9 mtm -127.62 153.88 77.67 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.76 155.57 62.38 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.247 1.965 . . . . 0.0 112.208 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -60.2 133.54 56.2 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.263 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.53 101.43 13.61 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.73 -179.47 47.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.47 101.59 0.34 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.29 131.09 42.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.024 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.94 -45.09 96.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.17 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -62.51 -40.08 95.58 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.132 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.79 138.02 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.46 0.475 . . . . 0.0 110.394 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -151.49 136.05 17.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -60.21 -48.7 80.64 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.265 0.353 . . . . 0.0 110.768 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.304 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 55.79 86.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -152.32 142.93 22.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.852 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.69 131.13 66.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.755 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.5 mt -106.0 -44.34 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.694 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.2 m -57.45 -45.8 84.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.378 0.424 . . . . 0.0 111.544 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -118.29 132.18 56.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 49.63 92.44 0.02 OUTLIER 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.65 87.12 5.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.185 0.517 . . . . 0.0 110.625 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.92 155.17 84.26 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.573 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.99 144.63 78.14 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.303 2.002 . . . . 0.0 112.303 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.8 159.5 41.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -151.71 64.43 5.89 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.21 157.37 53.96 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.16 1.907 . . . . 0.0 112.368 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.2 149.97 23.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.84 87.43 0.74 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.661 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 127.04 11.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.394 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.3 142.48 21.44 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.566 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.89 77.58 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.167 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.61 163.16 38.11 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.54 154.62 71.27 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.905 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 143.94 88.06 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.209 1.939 . . . . 0.0 112.368 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -58.88 149.15 80.44 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.207 1.938 . . . . 0.0 112.053 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.2 -23.65 72.74 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.09 1.86 . . . . 0.0 112.595 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 51.58 61.65 12.31 Favored Pre-proline 0 CA--C 1.551 0.997 0 O-C-N 123.215 0.322 . . . . 0.0 110.8 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.74 -22.38 69.59 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 122.251 1.967 . . . . 0.0 112.651 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.61 152.68 96.17 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.613 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.06 156.89 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.229 1.952 . . . . 0.0 112.271 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.65 150.55 97.77 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.614 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.48 152.38 54.4 Favored 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.237 1.958 . . . . 0.0 111.974 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.05 -29.57 37.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.315 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -60.07 141.52 55.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -86.13 79.88 8.98 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.694 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -73.63 177.91 5.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.721 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.36 -41.77 98.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.073 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -174.09 163.75 3.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -102.41 16.51 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.771 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -123.49 127.23 48.08 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -89.04 126.48 35.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.591 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.5 tp -153.44 120.51 5.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.157 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.8 t -109.48 -48.76 3.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -91.5 147.71 35.88 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.201 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.92 71.65 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.868 2.379 . . . . 0.0 112.027 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.4 mm 61.41 163.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.15 154.13 81.91 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.534 -0.27 . . . . 0.0 111.033 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.88 151.44 71.33 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.386 2.058 . . . . 0.0 112.186 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.36 155.68 90.23 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.68 149.85 55.56 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.249 1.966 . . . . 0.0 113.044 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -153.74 127.99 9.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.775 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.29 154.71 81.17 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.284 0.365 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.94 154.95 47.02 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 122.517 2.145 . . . . 0.0 112.005 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.13 146.04 50.87 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.316 2.011 . . . . 0.0 111.684 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -56.99 -48.63 77.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.743 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.85 132.75 0.55 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.246 0.341 . . . . 0.0 111.411 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.6 m -122.46 -65.11 1.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.271 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -135.97 161.37 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.771 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.97 -178.37 51.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -163.35 169.22 19.34 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.01 -49.96 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -157.81 170.61 21.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.923 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -113.29 -178.69 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.03 72.56 1.1 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.2 m -62.3 -45.23 90.11 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.01 145.3 98.08 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 121.958 1.772 . . . . 0.0 112.638 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.19 -26.14 74.93 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.444 2.096 . . . . 0.0 112.562 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 31.02 57.58 0.98 Allowed Pre-proline 0 CA--C 1.558 1.257 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.43 -42.97 3.24 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.568 1.512 . . . . 0.0 111.26 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -154.83 156.3 35.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.0 p -155.5 173.11 17.16 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -128.99 77.17 78.36 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.98 156.13 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.314 2.009 . . . . 0.0 112.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.06 147.78 52.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.048 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -53.86 133.7 42.71 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.711 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.5 m -126.39 146.74 57.47 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.31 156.94 32.81 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 122.187 1.925 . . . . 0.0 112.015 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.38 157.93 51.9 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.226 1.951 . . . . 0.0 111.8 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.25 -27.68 85.37 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.065 1.843 . . . . 0.0 112.564 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.84 126.81 19.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.95 0.405 . . . . 0.0 110.977 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.91 159.48 31.52 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.623 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 130.39 40.33 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.806 1.671 . . . . 0.0 111.982 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.4 m -141.61 158.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -64.22 -41.89 96.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -133.27 156.29 47.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.774 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -43.79 -68.55 0.19 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.423 0.452 . . . . 0.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.87 44.32 7.74 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.828 0.347 . . . . 0.0 111.807 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.85 -47.63 85.48 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.535 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.95 130.91 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.55 86.81 1.76 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.932 0.396 . . . . 0.0 111.629 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.53 117.71 9.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.435 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -136.18 138.94 42.45 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 tt -123.2 -44.56 2.15 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.128 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -121.37 125.71 74.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.783 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.18 177.43 49.87 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 157.32 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -129.93 147.38 51.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.06 149.23 33.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.08 154.12 35.3 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.1 t -147.32 144.15 28.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.647 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.16 149.19 25.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.795 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.92 103.23 3.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.553 0.533 . . . . 0.0 109.991 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.39 143.15 26.66 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.2 p -125.14 10.8 8.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.954 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.35 140.5 43.09 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -161.67 157.65 24.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.6 173.52 24.48 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -60.92 -46.47 90.53 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -157.62 116.63 3.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -165.32 16.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.511 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.1 t 177.25 -70.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.903 0.127 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -171.72 175.81 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.598 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.69 137.16 34.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.189 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.0 mp -122.15 138.25 54.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -72.97 155.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.221 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.89 140.29 78.73 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.161 1.907 . . . . 0.0 111.777 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -117.56 131.43 56.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.146 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -103.06 31.19 4.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.129 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.39 80.57 1.8 Allowed Glycine 0 C--N 1.336 0.551 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.92 152.73 32.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.251 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.8 133.9 45.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -79.29 -56.62 4.21 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -162.86 150.89 13.86 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.865 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -115.45 135.74 53.8 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.574 0.546 . . . . 0.0 110.501 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -109.37 119.53 39.74 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.216 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -95.52 108.25 20.48 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.222 -0.356 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.635 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -45.49 139.44 3.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -157.04 137.65 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 pt -109.9 -16.72 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.715 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.4 mt 49.49 65.58 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 121.128 0.489 . . . . 0.0 110.406 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.6 p -138.55 17.64 2.72 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.487 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 48.94 24.65 0.89 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -84.3 73.18 10.49 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.227 0.537 . . . . 0.0 110.524 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -90.27 84.65 6.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.72 157.85 83.55 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.53 -26.3 76.08 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.004 1.803 . . . . 0.0 111.872 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.01 149.79 29.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.146 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -157.72 57.78 1.32 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.31 148.79 44.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.02 1.814 . . . . 0.0 112.301 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.67 128.01 32.21 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.37 153.72 27.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -128.57 144.04 51.08 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.557 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.25 97.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 123.25 0.344 . . . . 0.0 110.669 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.84 61.68 13.35 Favored Pre-proline 0 CA--C 1.553 1.094 0 O-C-N 123.308 0.38 . . . . 0.0 110.84 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.0 136.53 41.46 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.797 1.665 . . . . 0.0 112.342 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.64 161.73 19.15 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.454 2.102 . . . . 0.0 112.479 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.58 158.85 54.69 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.081 1.854 . . . . 0.0 111.307 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.88 109.4 0.59 Allowed 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.952 1.768 . . . . 0.0 112.014 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.48 159.02 32.6 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.217 1.945 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.45 156.87 91.0 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.059 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 141.81 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.816 1.678 . . . . 0.0 112.224 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -161.37 157.58 21.92 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.375 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.01 146.77 59.6 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.857 1.705 . . . . 0.0 111.546 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.16 157.07 30.29 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.988 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -71.8 154.58 58.83 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.161 1.907 . . . . 0.0 111.752 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.64 -9.74 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.986 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -125.49 147.23 49.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -173.93 76.31 0.03 OUTLIER 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.59 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -80.18 177.36 9.01 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.05 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.0 -63.08 1.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -173.99 50.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.511 0.672 . . . . 0.0 109.544 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.56 139.15 32.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.492 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.13 142.76 24.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.78 -40.58 95.68 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.332 0.395 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.66 -164.46 0.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -108.32 126.05 52.4 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -80.61 156.9 72.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.261 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -72.17 153.26 56.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.886 1.724 . . . . 0.0 112.148 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.23 135.16 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.85 153.37 77.12 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.91 147.58 55.74 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.155 1.903 . . . . 0.0 112.081 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -144.41 70.37 15.78 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.467 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -67.85 -35.77 20.22 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.902 1.734 . . . . 0.0 112.418 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 42.74 41.68 2.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.4 tt -132.51 82.47 56.99 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.253 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.25 153.11 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.156 1.904 . . . . 0.0 111.3 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.79 -49.39 5.38 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.649 1.566 . . . . 0.0 112.095 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.6 tp -172.75 107.01 0.17 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.302 0.376 . . . . 0.0 111.19 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.7 136.83 50.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.294 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 t -150.39 155.77 40.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.252 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -139.08 146.79 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.0 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.59 179.82 34.91 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.45 158.88 21.53 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 pt -139.63 -7.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.22 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.41 146.49 51.25 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.709 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.0 t -85.14 -48.23 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -123.93 138.35 54.49 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.709 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -134.88 72.11 68.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.556 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.76 151.15 51.28 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.076 1.851 . . . . 0.0 112.034 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -27.68 52.07 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.979 1.786 . . . . 0.0 112.194 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.66 151.7 78.5 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.662 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.75 72.87 6.07 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.329 2.019 . . . . 0.0 112.192 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -103.37 14.61 31.09 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.572 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -123.78 156.49 35.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.635 0.255 . . . . 0.0 110.632 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -121.11 92.85 48.73 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.843 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.92 155.94 57.07 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.178 1.919 . . . . 0.0 112.323 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.6 133.43 38.26 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -131.41 143.6 50.57 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.491 0.494 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 t -75.59 143.22 75.2 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.55 142.16 60.68 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 121.91 1.74 . . . . 0.0 111.623 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -55.17 139.34 80.55 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.059 1.84 . . . . 0.0 112.46 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.98 155.93 47.8 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.138 1.892 . . . . 0.0 111.869 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.92 133.11 34.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -168.91 80.3 0.72 Allowed Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.125 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.11 138.64 87.18 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.243 1.962 . . . . 0.0 112.007 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.02 146.0 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.82 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -170.71 -47.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.36 -49.11 75.16 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.65 -40.8 72.83 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 76.99 0.12 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.425 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 76.3 125.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.95 152.53 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.086 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.9 61.86 1.84 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.034 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.9 -39.07 80.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -57.57 94.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.572 0.545 . . . . 0.0 109.877 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.27 -20.27 1.01 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.474 -178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.32 142.03 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.37 163.46 30.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.4 t 62.13 149.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -155.94 159.14 39.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.59 154.1 33.61 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.692 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.63 -71.28 0.16 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.56 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 63.9 m -137.76 140.0 40.38 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.267 0.354 . . . . 0.0 110.649 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.43 149.17 25.31 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.93 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.45 -28.75 1.0 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.57 -45.75 81.13 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.32 0.387 . . . . 0.0 110.726 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 148.62 16.17 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.95 151.26 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.491 0.494 . . . . 0.0 110.991 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -66.28 -20.48 66.11 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.36 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.6 174.35 41.34 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.9 m -126.33 148.42 49.56 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.09 108.13 20.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.469 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.6 m -147.54 35.69 0.87 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.936 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 t -136.54 148.84 47.8 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.518 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.14 149.65 36.84 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.336 0.397 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.6 tp -147.05 126.08 12.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.926 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.64 136.99 33.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.8 ptm -72.43 156.88 89.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.14 154.68 62.06 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.268 1.979 . . . . 0.0 112.024 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.51 129.92 43.99 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.429 0.456 . . . . 0.0 110.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -127.35 111.97 14.5 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.528 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -90.64 -135.22 6.13 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 58.5 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.46 157.76 13.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -63.03 -39.73 95.61 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -63.09 138.63 58.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.5 0.5 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -156.09 164.66 38.14 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -155.67 164.28 38.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -150.95 139.56 20.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.561 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 50.41 175.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -67.29 -41.61 85.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.692 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.27 140.44 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.549 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.31 -20.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m 60.15 51.72 5.49 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.48 0.657 . . . . 0.0 109.984 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -57.8 157.24 7.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.856 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 61.9 38.67 14.33 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -110.73 73.33 0.82 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.002 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 149.43 93.74 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.673 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.98 149.86 59.83 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.104 1.87 . . . . 0.0 112.048 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.52 -1.89 58.18 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.333 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.3 58.18 6.3 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.58 152.95 70.33 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.926 1.75 . . . . 0.0 112.286 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.42 154.02 24.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.544 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.57 134.13 28.39 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -178.15 127.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.362 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.58 128.81 35.58 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 159.97 54.85 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.208 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.64 150.9 66.81 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.211 1.941 . . . . 0.0 111.747 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.53 151.08 80.21 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.039 1.826 . . . . 0.0 112.295 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -71.72 156.05 57.77 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.38 2.053 . . . . 0.0 112.625 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.43 160.64 48.0 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.58 155.5 68.76 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.134 1.89 . . . . 0.0 112.087 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.76 159.67 82.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.075 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -57.88 145.58 90.27 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 122.257 1.971 . . . . 0.0 112.062 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -127.11 153.01 76.66 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.38 147.71 59.49 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.007 1.805 . . . . 0.0 112.266 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.58 71.7 82.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.951 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.24 148.19 61.43 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.112 1.875 . . . . 0.0 112.344 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.03 158.44 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.412 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -125.75 142.65 51.41 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -66.01 -38.53 88.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.61 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -86.78 170.44 11.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.1 -53.46 58.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.305 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -176.86 125.02 0.15 Allowed 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -129.53 159.08 41.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.265 0.353 . . . . 0.0 111.098 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.05 120.21 41.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -167.11 127.16 1.48 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.72 92.28 2.95 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.195 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.1 m -63.1 -45.96 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.003 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -91.86 114.01 60.66 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.894 -0.574 . . . . 0.0 110.444 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.83 155.64 53.43 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.976 1.784 . . . . 0.0 111.686 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.92 153.64 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.743 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.96 153.18 51.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.8 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.31 158.28 51.91 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 122.204 1.936 . . . . 0.0 111.923 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -128.55 71.13 80.47 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.31 157.8 52.81 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.301 2.001 . . . . 0.0 112.227 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -72.59 144.73 47.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.915 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.0 mt -80.85 148.18 64.18 Favored Pre-proline 0 CA--C 1.538 0.513 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.06 154.86 47.59 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.213 1.942 . . . . 0.0 112.199 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.17 -20.84 56.07 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.245 1.963 . . . . 0.0 112.372 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -120.47 122.4 40.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.065 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -123.66 -63.09 1.25 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -161.56 177.15 10.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.506 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.02 142.84 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.3 169.03 44.43 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.75 173.57 8.28 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.571 0.224 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 tt -98.66 42.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.283 0.563 . . . . 0.0 109.923 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -95.45 -70.21 0.72 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.02 12.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -122.76 -56.32 1.77 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.652 0.263 . . . . 0.0 110.608 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 54.48 53.45 10.0 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.054 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.22 153.83 46.16 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.154 1.903 . . . . 0.0 111.795 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.43 138.61 33.01 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.878 1.718 . . . . 0.0 112.514 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -170.33 131.24 0.92 Allowed Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 146.22 97.42 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.074 1.849 . . . . 0.0 111.03 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.26 -42.9 99.21 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.339 0.4 . . . . 0.0 110.307 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.1 m 55.55 32.31 18.85 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.576 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 48.71 72.95 1.09 Allowed Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.827 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.12 143.97 36.81 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.042 1.828 . . . . 0.0 112.683 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.68 149.85 27.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 53.86 36.3 23.79 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.211 0.529 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.0 p -76.14 157.28 83.35 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.898 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.82 165.98 31.26 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.501 2.134 . . . . 0.0 112.316 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.46 145.38 68.82 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.179 1.919 . . . . 0.0 111.831 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -76.79 70.0 6.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.217 1.945 . . . . 0.0 112.643 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.66 124.46 23.96 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.073 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.7 160.01 55.64 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.33 164.58 34.58 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.547 2.165 . . . . 0.0 112.329 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.9 t 80.91 83.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.227 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -139.43 123.05 17.4 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.876 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -133.98 -64.26 0.7 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.136 0.273 . . . . 0.0 111.156 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -105.65 -79.26 0.56 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.16 0.288 . . . . 0.0 110.321 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 49.12 51.91 15.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.25 -42.24 65.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.645 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.71 -39.54 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.787 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 54.7 75.34 0.3 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.302 0.572 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.06 -44.53 83.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.834 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -28.1 132.86 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.71 -53.51 39.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.404 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.05 152.3 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.41 152.98 29.05 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.0 m -139.55 143.9 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.964 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -166.5 111.23 0.79 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.08 157.18 23.03 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.6 42.75 20.13 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.195 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -90.18 8.35 33.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.095 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.24 27.69 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.63 56.36 0.8 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.203 0.525 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.22 139.98 53.97 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.718 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -119.07 30.87 6.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.002 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.1 144.74 11.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -56.88 -178.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.988 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.2 140.88 5.89 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -159.28 141.83 13.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.836 -0.182 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -119.35 123.16 43.5 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.457 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 m -154.14 48.55 0.62 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.4 m -140.92 136.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.609 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.97 148.45 29.8 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.377 0.423 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.4 tt -138.44 135.26 35.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -59.66 130.42 46.73 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.11 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 78.4 mtm -72.69 149.92 90.78 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -67.91 -19.54 46.2 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 122.172 1.914 . . . . 0.0 112.551 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.68 -38.59 88.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.335 0.397 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 54.28 -167.84 0.07 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.471 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -76.57 65.0 2.86 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.69 155.62 32.06 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 54.06 47.07 24.14 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 110.266 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -67.6 -15.15 63.51 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.94 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.61 144.32 55.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.517 0.198 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -134.93 30.75 3.34 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.7 146.67 49.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 56.48 38.02 29.31 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.16 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -52.45 -67.69 0.23 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -136.46 146.72 46.66 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.55 0.214 . . . . 0.0 110.611 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.7 tp -146.77 122.89 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.4 -45.8 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.4 p -157.42 163.43 38.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.626 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -84.81 85.0 7.5 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -168.76 17.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.886 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -102.68 20.97 16.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.38 113.59 42.86 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.995 -0.526 . . . . 0.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.22 145.26 98.79 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.251 1.967 . . . . 0.0 112.11 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 141.34 58.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.678 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -162.41 63.5 1.46 Allowed Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.37 142.71 45.89 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.749 1.633 . . . . 0.0 111.51 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.53 156.98 21.58 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.28 -39.98 0.66 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.496 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 50.12 59.63 4.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.322 0.582 . . . . 0.0 110.551 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.58 146.15 20.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.064 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.58 88.88 52.54 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.057 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.96 143.95 90.74 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.081 1.854 . . . . 0.0 112.084 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.37 150.79 65.28 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.133 1.889 . . . . 0.0 111.834 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 146.98 59.9 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.057 1.838 . . . . 0.0 111.559 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.71 143.23 70.79 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.143 1.895 . . . . 0.0 112.099 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.32 159.87 50.46 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.208 1.938 . . . . 0.0 112.397 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 153.11 96.2 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.508 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.55 -25.15 75.5 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.21 1.94 . . . . 0.0 112.341 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -129.79 151.12 77.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.168 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.2 149.6 58.03 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.062 1.841 . . . . 0.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.87 -61.28 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.3 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.85 147.9 50.92 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.936 1.757 . . . . 0.0 112.134 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.69 -50.57 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.2 m -72.3 150.96 43.09 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.07 142.57 51.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.056 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -117.91 110.11 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -163.8 156.08 17.43 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -140.93 35.91 1.76 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.39 120.68 49.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.215 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.83 5.51 13.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.944 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 55.23 48.09 20.14 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.416 0.627 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.97 146.04 53.95 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.63 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.3 m -115.04 129.09 56.62 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.755 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -91.37 154.6 44.54 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.035 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 148.0 85.24 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.829 1.686 . . . . 0.0 111.814 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.59 -44.86 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 74.31 76.35 Favored Pre-proline 0 CA--C 1.549 0.932 0 O-C-N 123.335 0.397 . . . . 0.0 110.623 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.29 139.31 89.38 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 122.124 1.883 . . . . 0.0 111.861 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -150.18 68.32 8.65 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.97 145.37 39.87 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.943 1.762 . . . . 0.0 111.946 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -143.08 105.44 4.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.92 -49.73 35.69 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.792 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 171.48 16.07 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 121.972 1.781 . . . . 0.0 112.879 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.89 -175.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.738 2.292 . . . . 0.0 113.075 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 145.64 51.7 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.05 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.83 155.8 18.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -148.09 155.5 41.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t 57.13 96.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.879 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.01 92.05 0.08 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -142.59 144.43 32.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.0 tt -72.19 -34.57 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.96 127.19 39.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -110.04 173.37 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.845 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.39 154.75 33.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.182 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 m -63.91 148.46 94.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.34 154.19 61.2 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.23 1.953 . . . . 0.0 112.673 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.68 159.5 50.76 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.344 2.029 . . . . 0.0 112.16 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -122.35 96.43 46.11 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 123.593 0.558 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.12 151.48 61.35 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.086 1.857 . . . . 0.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 58.62 112.73 0.01 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.6 p -162.16 147.66 12.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -131.17 68.99 82.25 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.252 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.04 145.83 45.55 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.055 1.836 . . . . 0.0 112.209 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.47 141.76 48.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 66.58 -70.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.821 0.701 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.5 p -150.33 158.45 36.18 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.321 -0.371 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.23 141.89 96.97 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.084 1.856 . . . . 0.0 111.778 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.84 151.03 56.6 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.952 1.768 . . . . 0.0 112.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.26 150.59 59.36 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.197 1.931 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.19 -63.81 0.55 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.229 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.66 3.84 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 123.321 0.388 . . . . 0.0 111.025 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.81 147.95 86.03 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.242 1.961 . . . . 0.0 111.635 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.47 160.02 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.16 134.79 46.81 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.26 107.51 19.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.901 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 46.51 63.49 1.87 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.121 0.486 . . . . 0.0 111.093 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -80.51 120.61 24.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -69.96 98.62 1.3 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.54 139.8 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.671 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -148.76 172.36 14.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.681 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 75.78 84.69 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.155 0.502 . . . . 0.0 111.213 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.72 117.79 8.66 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.09 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.4 tp -76.75 -45.11 30.39 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.431 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.09 157.65 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.036 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.62 67.59 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -118.49 123.89 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -157.62 163.27 38.45 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 65.14 169.41 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.85 154.09 27.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.732 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.4 t -149.14 142.42 25.11 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.54 31.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.569 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 148.44 19.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.82 147.36 46.53 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -143.04 139.64 30.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.75 -173.15 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.818 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.84 143.12 40.81 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.36 0.413 . . . . 0.0 110.055 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.65 155.61 27.03 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 m -103.66 -22.01 13.64 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.94 166.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.472 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.9 p -102.8 -26.47 13.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t 65.58 84.93 0.15 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 144.74 46.26 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.927 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -147.69 142.59 26.88 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.671 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.55 50.34 1.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.154 0.502 . . . . 0.0 110.712 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.9 mtt 59.13 160.4 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.9 156.75 62.2 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 122.041 1.827 . . . . 0.0 112.174 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -88.19 1.51 54.26 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.256 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 46.77 52.13 11.67 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.894 0.378 . . . . 0.0 111.305 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.1 37.32 3.28 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mp -100.59 11.13 40.15 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.92 -39.73 93.03 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 120.494 0.188 . . . . 0.0 110.914 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -110.89 124.15 51.52 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.597 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -141.11 95.24 2.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -143.25 151.93 41.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 55.4 39.99 31.28 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.024 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.01 118.08 35.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.27 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.267 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 60.14 -164.89 0.22 Allowed 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 52.73 89.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.51 -31.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.105 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.2 pt -67.66 103.82 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.392 0.615 . . . . 0.0 111.717 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -154.24 129.31 9.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.002 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.08 149.36 21.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.991 0.425 . . . . 0.0 112.035 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 74.89 -49.86 0.66 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.13 -40.87 74.58 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.304 0.378 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.37 144.86 96.97 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 -15.17 30.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.197 1.931 . . . . 0.0 112.893 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.6 30.16 16.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 0.0 110.711 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -155.42 67.41 5.0 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -54.63 139.1 76.34 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.246 1.964 . . . . 0.0 112.664 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.29 94.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.64 83.22 0.16 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.246 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -134.51 163.08 30.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.009 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.04 127.3 42.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.655 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.52 86.01 11.24 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.808 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.27 146.65 63.91 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.925 1.75 . . . . 0.0 112.616 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.59 163.76 31.38 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.97 157.07 63.3 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.225 1.95 . . . . 0.0 111.55 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.96 148.03 75.33 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.928 1.752 . . . . 0.0 112.363 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.82 158.88 46.11 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.339 2.026 . . . . 0.0 112.4 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -128.85 72.86 81.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.895 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.8 156.22 61.04 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.466 2.111 . . . . 0.0 112.748 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.78 157.57 89.93 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.452 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -37.92 68.28 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.108 1.872 . . . . 0.0 112.225 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 50.05 63.22 10.46 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.32 -23.57 75.31 Favored 'Trans proline' 0 N--CA 1.504 2.1 0 C-N-CA 122.065 1.843 . . . . 0.0 112.544 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.13 129.65 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -62.07 143.18 57.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -90.66 -28.79 18.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.305 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -78.83 178.07 8.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -164.78 179.25 6.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.046 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -116.67 6.28 13.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.43 -34.51 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 123.077 0.236 . . . . 0.0 110.964 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -122.34 144.33 49.08 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -108.38 24.49 12.95 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.323 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.05 -40.15 94.79 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.065 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -152.6 148.79 27.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -85.58 156.7 58.87 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.975 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.33 -21.93 30.15 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.799 1.666 . . . . 0.0 112.738 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.65 -45.44 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.62 57.77 14.98 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.2 -19.51 44.5 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.375 2.05 . . . . 0.0 112.822 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.17 160.74 79.62 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.062 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.61 139.45 82.88 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.272 1.982 . . . . 0.0 112.302 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -95.0 134.18 37.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.495 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.23 154.07 78.84 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.872 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -53.95 130.24 38.31 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.861 1.708 . . . . 0.0 111.978 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.49 -38.6 89.21 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.127 1.885 . . . . 0.0 112.528 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.31 175.17 5.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 66.92 29.91 7.97 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.205 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p 58.12 144.76 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.422 0.63 . . . . 0.0 111.839 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.57 -24.65 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 -130.24 28.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 65.92 71.36 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.569 0.7 . . . . 0.0 109.205 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 tp -58.19 -36.73 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -164.14 147.4 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.115 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.93 -178.71 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.065 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -60.61 -38.3 84.26 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.359 0.412 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -154.19 156.32 31.74 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.268 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.0 149.81 59.59 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.031 1.82 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.48 50.6 3.28 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.276 1.984 . . . . 0.0 111.877 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -172.84 79.56 0.42 Allowed Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.76 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.83 133.03 55.62 Favored 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.969 1.779 . . . . 0.0 112.275 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -91.79 149.19 21.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.6 t -79.47 -56.01 4.63 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.769 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -130.54 71.64 82.23 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.31 152.06 60.8 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.168 1.912 . . . . 0.0 111.859 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.78 147.31 32.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.509 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -151.03 136.06 17.46 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.133 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -146.07 158.15 48.88 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 119.589 -0.244 . . . . 0.0 111.474 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.12 157.03 41.49 Favored 'Trans proline' 0 N--CA 1.504 2.133 0 C-N-CA 122.589 2.193 . . . . 0.0 112.266 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 145.77 58.76 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.179 1.919 . . . . 0.0 111.446 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.28 -32.2 82.01 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 121.858 1.705 . . . . 0.0 113.243 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -168.26 146.97 4.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 111.94 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.2 65.67 10.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.366 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.44 -41.45 76.06 Favored 'Trans proline' 0 N--CA 1.505 2.185 0 C-N-CA 122.326 2.017 . . . . 0.0 113.351 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.9 p -168.83 161.49 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.201 0.313 . . . . 0.0 110.855 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -144.4 157.95 44.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.223 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -179.15 -29.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.937 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -57.46 -40.11 77.79 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.03 128.88 37.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.6 31.39 4.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.69 148.39 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -118.93 124.48 47.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -168.92 131.83 1.33 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.1 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -141.18 30.31 1.79 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tp 60.02 172.57 0.09 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.54 157.41 42.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.74 -21.57 45.2 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.655 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.19 -28.63 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.94 121.46 37.72 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.095 0.247 . . . . 0.0 110.675 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -160.57 152.56 20.09 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.31 3.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.0 m 50.27 31.77 5.55 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.246 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.13 158.29 38.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.38 -50.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.37 148.64 30.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.28 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -107.83 23.46 14.44 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.74 143.96 56.62 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -134.81 107.56 7.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.222 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 58.13 -143.09 43.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -171.67 100.84 0.18 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt 49.09 42.89 21.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.4 p -133.59 31.49 3.69 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.534 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -108.06 125.45 51.58 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -99.64 -177.79 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.623 0.577 . . . . 0.0 111.101 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.6 mt 58.7 49.68 9.87 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.292 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mp -96.54 37.1 1.3 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.184 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.09 149.57 98.09 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.82 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.59 160.44 46.54 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.363 2.042 . . . . 0.0 112.425 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -65.53 157.85 28.57 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.159 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.75 112.6 12.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.35 92.57 2.27 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -39.75 91.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.929 -0.135 . . . . 0.0 110.996 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.41 141.65 43.64 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.263 0.352 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -163.28 -61.03 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -106.63 105.2 15.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.752 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -101.01 -14.78 17.7 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -64.73 -39.82 94.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.547 0.213 . . . . 0.0 111.041 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 55.65 37.77 29.3 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.251 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.02 21.85 0.84 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -137.93 130.21 29.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.682 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.7 pt -133.86 150.37 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.442 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.32 -46.32 95.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.6 p -163.36 165.8 23.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -151.38 131.76 13.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.793 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -158.84 170.23 22.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.288 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.0 72.09 10.5 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.515 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.19 142.83 66.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.922 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.83 168.78 23.93 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.457 2.105 . . . . 0.0 112.685 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.05 68.05 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.764 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.03 59.43 10.79 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.228 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.65 149.4 76.71 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.01 1.806 . . . . 0.0 112.128 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.62 135.5 7.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.27 150.52 14.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.94 52.32 14.48 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.294 0.569 . . . . 0.0 110.8 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 126.03 24.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.35 165.27 18.93 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.518 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.16 144.71 79.7 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.035 1.824 . . . . 0.0 111.597 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.64 160.0 49.43 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.115 1.876 . . . . 0.0 112.292 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -57.51 152.15 49.44 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.261 1.974 . . . . 0.0 111.68 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.89 147.66 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.958 1.772 . . . . 0.0 111.327 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.54 148.31 90.51 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.951 1.767 . . . . 0.0 112.104 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -70.08 157.51 89.65 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -50.67 -37.31 53.3 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.073 1.848 . . . . 0.0 111.853 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -98.31 118.79 63.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.098 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.78 145.45 90.24 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.993 1.795 . . . . 0.0 111.944 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -56.19 -50.03 89.84 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.338 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.22 151.82 39.01 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.808 1.672 . . . . 0.0 111.44 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.05 -44.85 95.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -169.8 -60.79 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -138.6 102.14 4.52 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.089 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -118.17 108.5 15.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.599 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.56 140.47 58.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -171.0 100.0 0.21 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.56 -31.71 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.596 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.87 -40.8 98.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 50.13 32.84 6.31 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -117.57 31.74 6.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.378 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 p -117.45 -62.65 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.163 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -91.72 156.77 42.55 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.08 142.87 99.31 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.838 1.692 . . . . 0.0 111.813 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.2 pt -107.58 -28.32 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.427 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.36 155.76 31.95 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.22 -40.15 87.26 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.1 1.867 . . . . 0.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.66 73.56 4.21 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.96 139.09 32.43 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.912 1.741 . . . . 0.0 111.986 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.71 -40.35 96.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp 178.38 -54.61 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.83 160.55 47.6 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.894 1.729 . . . . 0.0 112.541 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.02 -13.29 38.96 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.372 2.048 . . . . 0.0 112.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.07 118.75 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 0.0 110.681 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.94 170.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.19 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -154.96 152.92 30.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.58 125.91 51.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.79 156.54 14.67 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -152.98 121.46 6.33 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -87.31 92.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.79 146.0 33.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.006 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 13.5 p -171.75 165.78 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -56.35 147.88 20.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -99.76 108.63 52.26 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 123.488 0.493 . . . . 0.0 111.384 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 151.35 76.33 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.147 1.898 . . . . 0.0 111.409 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.66 137.53 58.95 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.789 1.659 . . . . 0.0 111.664 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.4 69.32 54.41 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.387 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.06 139.81 85.67 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.015 1.81 . . . . 0.0 111.412 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -129.67 137.05 50.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.8 t -108.08 -48.95 3.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.179 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 48.92 61.04 14.78 Favored Pre-proline 0 CA--C 1.553 1.089 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.387 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.78 -33.24 87.41 Favored 'Trans proline' 0 N--CA 1.505 2.157 0 C-N-CA 122.159 1.906 . . . . 0.0 112.06 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.95 57.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.089 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.49 -46.9 88.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.597 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.3 p -111.22 161.27 25.87 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.639 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.62 130.08 37.09 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.668 1.579 . . . . 0.0 111.439 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.08 158.49 26.91 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.124 1.883 . . . . 0.0 112.579 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.26 -19.84 62.28 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 C-N-CA 122.04 1.827 . . . . 0.0 111.824 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.63 158.1 43.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.83 69.2 19.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 123.263 0.352 . . . . 0.0 110.791 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.7 112.62 3.48 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.985 1.79 . . . . 0.0 112.119 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.73 154.74 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.702 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -123.18 121.54 36.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -144.72 30.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.051 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 69.86 -67.93 0.21 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.649 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 t0 56.66 179.47 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.473 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -140.89 139.86 34.44 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -143.48 144.29 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 O-C-N 123.223 0.327 . . . . 0.0 110.794 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.13 -62.39 0.11 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -162.55 94.96 0.9 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.573 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -147.44 131.34 17.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.009 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.58 150.35 20.43 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.313 0.383 . . . . 0.0 110.131 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.8 t 60.27 -96.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.642 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.84 33.93 88.36 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.59 124.0 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -121.06 174.95 6.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.689 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.68 99.6 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 45.76 73.44 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.9 t -151.31 149.72 29.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.7 -81.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -178.04 55.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 110.384 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.81 120.13 28.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 t -179.46 80.34 0.01 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.767 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.44 127.63 35.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.098 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -62.0 155.28 24.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.205 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.28 25.73 11.91 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.363 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -150.2 144.95 25.96 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.16 -45.83 75.85 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.276 0.36 . . . . 0.0 110.752 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.48 -68.65 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.135 0.272 . . . . 0.0 111.427 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.8 t -154.32 155.46 35.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.183 0.302 . . . . 0.0 110.635 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -146.47 -82.9 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.6 mt 57.7 73.84 0.45 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.725 0.774 . . . . 0.0 110.348 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.61 -39.76 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.92 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.94 155.18 38.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.81 -174.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.299 2.0 . . . . 0.0 111.756 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.45 147.69 25.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.8 91.55 8.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.108 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.26 -41.03 98.43 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.35 140.29 43.22 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.85 109.25 19.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.328 0.392 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.1 -38.78 75.74 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.894 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -109.8 114.43 28.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.043 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -150.02 127.85 11.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -139.98 155.77 46.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.567 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -65.63 -20.94 66.51 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.776 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.123 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.37 -129.34 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp-105 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 119.026 0.83 . . . . 0.0 110.201 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.5 pt -68.28 -32.25 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.633 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt 41.76 96.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 123.463 0.477 . . . . 0.0 111.301 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.2 m -134.72 -73.59 0.47 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.105 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 49.08 29.5 2.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -50.39 74.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.101 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -112.72 84.76 2.04 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.378 0.424 . . . . 0.0 110.832 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.4 151.22 53.19 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.93 72.15 5.44 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.376 2.051 . . . . 0.0 112.226 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.03 105.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 178.91 -56.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.88 171.06 15.94 Favored 'Trans proline' 0 N--CA 1.486 1.034 0 C-N-CA 121.991 1.794 . . . . 0.0 112.548 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.74 92.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.132 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.58 66.61 1.17 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.772 0.796 . . . . 0.0 110.818 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.67 143.4 49.36 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.13 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.2 49.84 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.381 0.426 . . . . 0.0 110.336 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.7 159.81 71.03 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.02 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.33 158.36 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.07 147.93 72.14 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.331 2.021 . . . . 0.0 112.14 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.3 156.61 64.06 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.129 1.886 . . . . 0.0 112.092 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.86 153.07 73.46 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.217 1.945 . . . . 0.0 112.078 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.36 154.65 65.2 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.212 1.941 . . . . 0.0 112.296 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.16 156.4 80.2 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.393 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.17 148.84 63.32 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.971 1.781 . . . . 0.0 112.136 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -132.58 81.31 59.91 Favored Pre-proline 0 CA--C 1.547 0.827 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -71.51 149.75 56.43 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.123 1.882 . . . . 0.0 112.201 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -133.02 80.68 59.53 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.027 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.46 148.3 54.02 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.099 1.866 . . . . 0.0 112.279 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.7 125.64 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -152.25 141.96 21.89 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -144.53 109.37 4.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -118.19 107.24 13.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.256 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.97 99.06 12.11 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.471 0.482 . . . . 0.0 110.288 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -171.9 124.92 0.55 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.82 138.71 49.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 O-C-N 123.493 0.496 . . . . 0.0 110.916 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.68 -39.92 84.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.635 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 54.57 29.25 11.04 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.5 -41.89 7.56 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 53.61 21.1 2.4 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.58 150.37 40.97 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.318 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.42 -21.19 41.06 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.039 1.826 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.15 -46.52 96.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.66 117.88 63.09 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.381 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.91 157.08 27.24 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.023 1.815 . . . . 0.0 112.394 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -71.21 151.47 94.53 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.71 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.44 -36.51 65.78 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.788 1.659 . . . . 0.0 111.976 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -123.76 140.02 53.41 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.335 0.397 . . . . 0.0 110.966 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.9 157.62 68.79 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.577 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.96 149.9 76.12 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.356 2.037 . . . . 0.0 111.765 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.81 151.44 74.23 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.072 1.848 . . . . 0.0 112.01 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.54 -63.07 1.18 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -106.84 -59.86 1.75 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -153.6 154.73 34.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 81.7 t -64.08 -40.68 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.622 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.45 32.4 55.06 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -144.08 153.57 42.31 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.662 0.267 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.87 4.75 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.418 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.13 18.6 22.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.16 128.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 111.613 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -124.73 -59.89 1.41 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -59.32 135.98 88.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.53 152.66 65.45 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.919 1.746 . . . . 0.0 112.625 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.17 163.57 37.7 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.498 2.132 . . . . 0.0 112.059 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 63.44 165.76 0.11 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.262 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.21 157.96 59.48 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.305 2.003 . . . . 0.0 112.487 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.25 -44.71 92.36 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.001 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.8 m -65.55 141.73 58.35 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.419 0.449 . . . . 0.0 110.012 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 51.38 64.23 8.31 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -53.33 -39.2 82.1 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.397 2.065 . . . . 0.0 112.619 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 45.99 83.29 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 58.97 45.71 14.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.504 0.668 . . . . 0.0 110.424 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 m -138.6 110.73 8.16 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.373 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.88 137.91 80.25 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 121.818 1.679 . . . . 0.0 111.888 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.34 154.38 45.86 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.017 1.812 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.88 146.53 92.98 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.177 1.918 . . . . 0.0 111.631 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -147.34 150.58 35.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.66 90.25 6.48 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.142 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.77 136.76 72.84 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.009 1.806 . . . . 0.0 112.013 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.8 m -56.66 -41.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -71.9 -49.25 39.51 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.332 0.395 . . . . 0.0 110.133 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.94 54.62 0.76 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.396 1.093 . . . . 0.0 108.402 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -145.66 -30.3 0.41 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 113.646 -1.615 . . . . 0.0 110.312 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.41 143.39 57.85 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.063 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -143.73 136.83 27.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.89 146.97 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.056 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.65 68.77 0.68 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.519 0.676 . . . . 0.0 110.341 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 60.57 163.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.681 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -68.83 -17.44 64.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.8 tp -50.21 -51.4 44.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.89 159.9 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.51 76.04 0.09 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.9 m -133.88 157.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.045 0.45 . . . . 0.0 111.718 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 t -79.96 153.81 28.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.953 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.68 151.33 30.44 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.81 151.13 33.04 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -94.22 52.98 1.66 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.638 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.04 154.62 35.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.418 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.88 19.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.21 88.25 2.37 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.394 0.434 . . . . 0.0 110.529 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -160.34 141.82 12.42 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 165.69 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.557 0.535 . . . . 0.0 110.164 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -116.65 149.59 39.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.83 58.42 2.51 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -71.29 160.27 33.1 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.476 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.8 tp 61.85 148.65 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 -64.24 0.71 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.051 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 m -140.74 143.59 35.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.62 -169.23 0.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.61 0.569 . . . . 0.0 110.268 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -161.76 37.23 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.183 0.516 . . . . 0.0 110.932 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.39 141.79 52.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.615 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -131.11 79.97 69.86 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.055 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.33 151.92 54.69 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.283 1.988 . . . . 0.0 112.535 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -119.68 28.21 8.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -82.78 179.65 7.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -160.14 162.55 33.28 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.33 164.88 26.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 54.89 87.25 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -109.88 16.77 21.76 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.617 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.3 t60 55.9 38.79 30.41 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.127 0.489 . . . . 0.0 110.435 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.48 142.64 19.27 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.24 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.58 137.33 58.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.206 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.91 138.54 58.43 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.465 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -103.33 119.46 38.92 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 43.8 69.53 0.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.491 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.87 -47.13 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.35 9.29 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.913 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t 54.0 21.31 2.83 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -66.06 110.46 2.96 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -168.05 1.41 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.026 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -87.4 33.76 0.69 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.036 0.446 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.77 160.84 75.5 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -60.55 -23.06 74.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.178 1.918 . . . . 0.0 112.816 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 139.61 57.3 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.158 0.286 . . . . 0.0 110.247 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -159.15 70.2 3.43 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.07 65.96 8.81 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.096 1.864 . . . . 0.0 112.406 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.15 148.44 25.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.124 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.26 22.74 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 61.07 -82.85 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.89 157.51 39.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -168.39 -59.97 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.48 157.55 52.71 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.074 1.849 . . . . 0.0 112.006 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.39 154.61 68.96 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.136 1.89 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.91 141.5 85.74 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.224 1.949 . . . . 0.0 111.904 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.38 151.39 59.74 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.044 1.83 . . . . 0.0 112.432 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.92 156.21 52.62 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.209 1.939 . . . . 0.0 112.135 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -157.8 -51.16 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.433 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.06 141.19 97.97 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 121.704 1.603 . . . . 0.0 111.741 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -130.21 70.26 82.17 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.91 146.13 52.26 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.012 1.808 . . . . 0.0 111.572 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -142.52 75.88 18.61 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 123.442 0.464 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.36 147.21 52.34 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.929 1.753 . . . . 0.0 111.582 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.86 132.5 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -176.45 -63.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.105 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -151.23 162.6 40.59 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -119.77 170.95 8.75 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.381 0.426 . . . . 0.0 110.97 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.02 -47.89 83.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.59 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -158.97 151.88 22.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.5 m -116.72 159.0 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.293 0.37 . . . . 0.0 111.165 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.84 154.17 50.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.407 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -99.31 1.37 44.48 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.5 tp -95.13 106.99 19.05 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.555 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.1 p -138.15 166.49 24.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.946 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.09 153.26 95.46 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.74 137.51 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.734 1.623 . . . . 0.0 112.892 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.08 -32.12 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.992 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.85 153.09 78.49 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.76 148.03 57.69 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.14 1.893 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.17 152.08 92.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.79 -25.77 68.0 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.997 1.798 . . . . 0.0 112.382 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.15 132.34 55.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.962 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.8 tp 48.84 65.92 6.44 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.981 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.27 138.1 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.217 1.944 . . . . 0.0 112.105 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.78 143.44 99.62 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.134 1.889 . . . . 0.0 112.302 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.77 149.93 49.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -129.69 72.77 1.49 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.257 0.551 . . . . 0.0 110.638 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.2 m -136.65 128.34 28.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.506 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.27 160.46 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.221 0.326 . . . . 0.0 110.985 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.58 164.31 27.4 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -162.64 159.72 24.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.612 0.244 . . . . 0.0 110.629 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 tt -82.6 -36.25 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.237 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.61 165.92 11.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.015 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.95 128.13 38.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -132.97 98.89 4.41 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.3 p -142.43 57.93 6.9 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.84 152.9 53.0 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.096 1.864 . . . . 0.0 111.763 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.88 139.58 89.67 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 121.978 1.785 . . . . 0.0 111.597 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.78 150.18 81.32 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.46 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.97 150.11 60.31 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.939 1.759 . . . . 0.0 111.949 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -103.58 142.78 33.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.141 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.0 p -146.85 160.86 41.77 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.442 0.464 . . . . 0.0 111.147 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -130.45 93.96 31.06 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.949 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.43 138.82 74.33 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.986 1.79 . . . . 0.0 111.95 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.21 160.38 40.82 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -62.86 -38.4 90.7 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.6 p -76.47 164.56 58.94 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 123.5 0.5 . . . . 0.0 110.294 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.43 146.87 71.64 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 122.245 1.963 . . . . 0.0 112.224 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.7 150.76 59.74 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.297 1.998 . . . . 0.0 112.329 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.94 158.02 58.12 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.251 1.968 . . . . 0.0 112.439 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.64 149.17 48.4 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.83 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.76 154.18 13.35 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.64 146.78 49.82 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.25 1.967 . . . . 0.0 112.887 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.4 -32.02 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.133 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.15 128.81 37.34 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -164.87 -39.47 0.03 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.423 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -52.39 -70.56 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.607 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.0 t0 56.44 50.89 12.24 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.297 0.57 . . . . 0.0 110.94 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.43 171.84 12.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.124 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.8 m -65.85 178.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.03 94.68 5.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.649 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -155.04 154.28 32.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.845 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -76.9 -3.71 40.05 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.723 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.09 90.09 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m 41.43 -162.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.167 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.08 -160.39 22.27 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.05 132.26 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.02 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 t -131.34 99.64 4.91 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.55 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.44 158.68 44.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.221 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.38 155.32 41.11 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 t -142.99 139.69 30.72 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 0.0 111.299 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.78 115.34 0.45 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.43 -39.49 0.02 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -157.69 155.05 29.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.221 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -149.78 141.48 23.59 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.99 150.35 49.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -97.64 13.77 29.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.699 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.61 134.58 8.13 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -72.8 149.34 43.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.523 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.9 109.79 22.48 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.999 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p -147.42 163.84 35.21 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.479 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -148.46 173.46 13.09 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.878 0.736 . . . . 0.0 109.667 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.32 157.21 36.17 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.333 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tt -171.44 66.92 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.364 0.602 . . . . 0.0 110.226 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.02 143.07 49.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.689 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.9 mtt -109.4 151.26 42.03 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.198 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.36 148.48 61.29 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 121.916 1.744 . . . . 0.0 112.284 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -167.47 -44.91 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 t0 50.37 -176.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.074 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.65 64.7 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 67.2 121.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.285 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -62.58 -40.68 97.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.474 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.3 t60 58.6 74.25 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -62.08 -40.75 96.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.586 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 51.14 31.27 6.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 52.41 45.69 28.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.318 0.58 . . . . 0.0 110.572 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -66.41 -20.98 66.21 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.681 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.157 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -141.36 107.42 5.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -171.15 142.63 1.8 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.979 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.47 146.29 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -167.13 147.06 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.3 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.0 p -106.43 136.6 45.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.371 0.419 . . . . 0.0 110.656 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.91 156.35 44.89 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.489 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.16 146.3 54.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.759 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.95 -42.22 81.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.603 0.564 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.63 120.46 75.33 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.52 -16.4 34.34 Favored 'Trans proline' 0 N--CA 1.504 2.101 0 C-N-CA 122.032 1.822 . . . . 0.0 112.953 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.81 -4.43 59.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.81 57.04 4.22 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.8 147.76 40.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.878 1.719 . . . . 0.0 112.439 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.88 156.12 30.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.049 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.52 141.84 35.28 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.415 0.447 . . . . 0.0 111.05 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -143.15 141.38 31.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.66 131.47 46.55 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.336 0.398 . . . . 0.0 110.718 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.07 100.43 0.37 Allowed Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.161 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.31 145.27 65.21 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -76.3 162.19 34.08 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.426 2.084 . . . . 0.0 112.802 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.23 164.8 8.1 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.35 2.033 . . . . 0.0 111.388 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.8 137.78 34.45 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.811 1.674 . . . . 0.0 111.638 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.44 154.49 60.62 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.134 1.89 . . . . 0.0 113.3 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -140.42 157.04 69.28 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.645 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.47 137.48 36.41 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.742 1.628 . . . . 0.0 112.041 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -160.02 81.39 2.37 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 -30.54 58.59 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.934 1.756 . . . . 0.0 112.025 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 43.57 55.66 11.95 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.302 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.05 138.76 31.55 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.001 1.801 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.99 -42.92 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -115.65 -21.45 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.4 t80 55.95 57.31 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.025 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -103.99 105.04 15.09 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.357 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -92.47 173.9 7.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.405 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -176.1 94.91 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.85 127.03 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.444 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.7 -39.95 84.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 59.51 35.81 22.81 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -117.72 151.17 37.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.283 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 m -57.12 132.79 53.99 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.923 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.45 135.37 96.23 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.018 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.95 158.97 53.97 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.679 1.586 . . . . 0.0 111.721 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 tt -107.82 139.72 28.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.58 157.44 76.48 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.71 133.07 52.45 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.966 1.777 . . . . 0.0 111.996 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -159.64 99.75 1.51 Allowed Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.956 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.73 137.93 79.82 Favored 'Trans proline' 0 N--CA 1.503 2.072 0 C-N-CA 122.063 1.842 . . . . 0.0 113.029 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 56.67 33.83 23.51 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.397 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt 59.23 149.3 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.164 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.09 154.28 63.46 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.341 2.027 . . . . 0.0 112.211 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.49 151.68 44.41 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.18 1.92 . . . . 0.0 110.928 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.11 -44.43 97.36 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.242 0.339 . . . . 0.0 110.739 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.97 171.46 0.52 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 111.288 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.9 p -127.6 170.19 12.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 m -106.07 147.7 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.45 -177.69 37.13 Favored Glycine 0 C--N 1.332 0.361 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.23 165.65 26.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.0 tt -75.53 -34.43 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -159.89 151.49 19.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.0 t 60.45 99.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.837 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -72.06 132.1 43.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.767 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m -63.66 153.07 84.69 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.402 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.06 139.59 61.41 Favored 'Trans proline' 0 N--CA 1.503 2.08 0 C-N-CA 122.092 1.862 . . . . 0.0 112.083 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.2 153.52 62.1 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.061 1.841 . . . . 0.0 112.339 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -113.91 104.66 54.98 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.664 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.8 145.19 61.96 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.906 1.737 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.63 -167.09 1.77 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -91.1 165.25 13.6 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -127.54 64.41 63.05 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.4 141.2 97.23 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.216 1.944 . . . . 0.0 112.169 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.55 95.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.999 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.93 -48.21 82.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.551 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 t -140.25 99.17 7.28 Favored Pre-proline 0 CA--C 1.547 0.859 0 O-C-N 123.364 0.415 . . . . 0.0 111.391 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.49 148.82 26.72 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.96 1.773 . . . . 0.0 111.964 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.64 156.88 56.94 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.265 1.977 . . . . 0.0 111.893 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 141.24 88.5 Favored 'Trans proline' 0 N--CA 1.502 1.988 0 C-N-CA 122.044 1.829 . . . . 0.0 111.806 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.26 137.03 50.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.21 155.51 12.02 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -58.53 142.61 98.28 Favored 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 122.118 1.879 . . . . 0.0 111.499 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -58.51 125.44 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.364 0.415 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -138.72 118.96 13.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.11 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.3 -39.83 7.02 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.419 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 172.71 -70.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.13 39.06 31.36 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.698 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -114.77 -79.07 0.58 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.749 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.56 159.9 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.15 133.66 35.17 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.644 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 47.3 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.245 0.341 . . . . 0.0 110.872 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -87.69 -53.88 4.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.137 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 tp 72.02 56.33 0.17 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.76 144.53 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.321 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.94 158.06 28.29 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.91 149.4 23.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 O-C-N 123.549 0.205 . . . . 0.0 110.79 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -149.66 139.08 21.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.25 -51.45 0.35 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.355 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.93 26.13 7.57 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -66.48 -37.31 84.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.79 151.86 30.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.98 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 49.55 80.91 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.085 0.469 . . . . 0.0 110.949 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -123.28 123.2 40.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.63 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 123.687 0.617 . . . . 0.0 111.396 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -148.93 162.6 39.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.15 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.51 74.23 0.35 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -155.82 145.54 21.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.8 tp -108.12 120.02 41.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.82 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.3 p -166.55 -31.44 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.6 m -109.16 -21.41 12.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.787 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.72 96.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.686 0.279 . . . . 0.0 110.534 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.5 mt -118.12 147.45 43.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.039 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.15 79.61 3.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 109.901 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 60.4 ttp -139.1 83.53 17.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.253 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.58 138.62 87.01 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.19 1.927 . . . . 0.0 112.159 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 53.1 176.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.155 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -106.55 16.14 24.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.655 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.84 2.13 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.14 145.18 53.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.11 129.43 44.92 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.796 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.705 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 73.0 t60 55.69 66.6 1.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.524 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.0 146.33 53.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.55 -46.2 91.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.938 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.4 137.45 58.17 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 45.43 25.03 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.98 127.24 50.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 tt -55.33 165.25 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.399 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.5 mt -50.62 150.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.3 p -155.28 163.04 40.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 57.28 80.28 0.17 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 110.454 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.84 -45.43 90.05 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.863 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -82.12 57.8 3.7 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.512 0.672 . . . . 0.0 109.724 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.66 149.33 96.85 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.731 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.81 145.28 97.02 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.218 1.945 . . . . 0.0 112.228 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.3 145.95 39.74 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.347 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -151.25 56.56 2.04 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.536 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.28 151.43 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.909 1.739 . . . . 0.0 112.027 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.68 158.47 41.1 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.7 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.37 149.92 33.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.334 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -130.86 151.05 51.71 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.47 91.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.696 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.55 64.89 2.32 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.64 162.82 41.17 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.409 2.073 . . . . 0.0 112.332 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.46 147.89 66.08 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.164 1.909 . . . . 0.0 112.009 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.83 157.36 60.53 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.069 1.846 . . . . 0.0 112.578 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.03 161.55 45.56 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.441 2.094 . . . . 0.0 112.157 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.74 154.95 71.84 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.183 1.922 . . . . 0.0 112.175 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.69 156.67 73.12 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.17 161.19 46.85 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 122.102 1.868 . . . . 0.0 112.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.62 69.95 8.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.12 -17.77 59.78 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.378 2.052 . . . . 0.0 112.565 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -127.07 74.87 76.9 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.236 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.49 -15.57 45.46 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.318 2.012 . . . . 0.0 112.879 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.4 161.26 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.79 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p -146.93 167.35 24.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -160.54 135.87 7.97 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.66 140.58 50.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -101.87 133.05 47.25 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -172.67 71.3 0.04 OUTLIER 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 109.529 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.92 -33.99 21.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.093 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -135.11 136.85 42.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.19 -22.02 66.79 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.245 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.17 36.3 22.13 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.462 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.4 p -74.33 155.6 38.01 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -93.23 151.6 40.52 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.02 -19.57 39.49 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.049 1.833 . . . . 0.0 112.343 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.45 133.87 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.8 88.25 47.12 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.459 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -59.26 146.99 92.88 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.376 2.051 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.67 148.31 98.57 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.547 0.529 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.73 157.64 51.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.262 1.975 . . . . 0.0 112.396 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -126.82 143.36 51.28 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.86 -51.27 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.345 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.5 134.05 61.65 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.616 1.544 . . . . 0.0 111.836 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -86.56 -168.85 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.435 2.09 . . . . 0.0 112.549 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.0 -39.01 87.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.422 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 63.38 89.86 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.415 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.0 m -117.81 131.2 56.6 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.434 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.62 170.08 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.774 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.11 136.44 6.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -136.08 -159.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -122.62 -39.85 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.99 113.4 20.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.86 130.47 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -141.39 159.81 41.44 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.336 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.7 p -122.15 73.21 37.22 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.32 150.87 47.72 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.268 1.979 . . . . 0.0 111.762 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.88 -31.62 56.67 Favored 'Trans proline' 0 N--CA 1.501 1.957 0 C-N-CA 121.832 1.688 . . . . 0.0 111.91 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -160.46 149.12 13.43 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.832 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.3 -36.09 3.44 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.084 1.856 . . . . 0.0 113.196 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 49.26 30.3 3.07 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.399 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.6 m -117.54 114.99 24.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.45 148.85 60.75 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.991 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.79 112.87 1.61 Allowed 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 121.608 1.539 . . . . 0.0 111.672 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 175.74 -40.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.256 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.66 152.83 47.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.353 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.2 m -127.19 139.12 34.25 Favored Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.11 137.41 34.36 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.774 1.65 . . . . 0.0 111.662 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.76 -43.35 55.51 Favored 'Trans proline' 0 N--CA 1.508 2.347 0 C-N-CA 122.015 1.81 . . . . 0.0 113.814 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.55 142.06 90.33 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 121.752 1.635 . . . . 0.0 112.282 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.5 92.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.548 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 53.5 57.29 13.82 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.656 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.34 55.12 5.47 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.248 1.965 . . . . 0.0 112.024 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.5 -46.69 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.715 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -91.87 124.66 36.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.55 -169.01 1.77 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.284 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.1 -46.48 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.39 140.52 17.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.839 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -119.67 37.83 4.07 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.854 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.3 p -179.35 55.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -171.37 162.19 6.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.496 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -134.68 135.56 42.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.105 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -85.16 110.51 19.05 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.31 26.13 0.41 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.35 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.86 159.93 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.726 0.298 . . . . 0.0 110.963 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.96 166.77 37.05 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.31 -25.89 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -141.24 136.76 32.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.585 0.231 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.74 156.63 39.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.42 151.26 31.45 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -62.76 -61.11 2.64 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.886 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.92 150.95 21.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.526 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.75 13.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.363 0.414 . . . . 0.0 111.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -163.99 164.74 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.072 0.233 . . . . 0.0 110.724 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -118.63 -52.01 2.36 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.18 -62.68 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.391 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.7 t80 58.83 160.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.55 44.55 7.83 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.1 m -162.56 -72.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.6 tp -177.6 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.208 0.318 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -174.97 -60.15 0.01 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.555 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.1 m -129.05 39.75 3.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.555 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.8 71.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.796 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 135.9 56.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.718 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 80.7 mt -118.52 155.79 30.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.013 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.3 ttt -124.93 78.09 65.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.91 -17.49 32.32 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.374 2.049 . . . . 0.0 112.687 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.1 tttp 62.89 111.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -145.03 109.68 4.99 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.475 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -135.92 141.36 12.48 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 64.9 mt -143.56 146.0 32.98 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.554 0.216 . . . . 0.0 110.812 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 53.41 94.39 0.02 OUTLIER 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.639 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -63.32 -40.09 96.36 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.9 148.94 48.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.62 162.82 40.55 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -155.38 143.47 20.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -132.53 145.2 50.96 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 76.4 m80 . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.44 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -78.76 143.92 35.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 52.9 48.12 23.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.329 0.585 . . . . 0.0 110.801 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -49.03 148.85 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -119.07 128.68 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -148.3 139.24 23.12 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.221 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -125.33 136.41 53.45 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.382 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -160.2 153.22 21.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.31 11.06 35.98 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.958 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.94 155.6 91.42 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.61 -37.0 73.8 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 122.202 1.934 . . . . 0.0 112.253 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.52 138.26 51.22 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -102.99 -46.77 0.17 Allowed Pre-proline 0 CA--C 1.539 0.531 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.206 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.25 153.53 52.53 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.59 1.526 . . . . 0.0 112.03 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.79 138.74 28.96 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.04 162.91 36.73 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.113 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -129.35 161.69 29.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.382 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.59 148.86 34.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.56 163.01 25.64 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.66 145.11 83.49 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 121.938 1.759 . . . . 0.0 111.485 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 139.43 82.79 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.914 1.743 . . . . 0.0 112.134 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.61 155.68 49.68 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.085 1.856 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.04 157.4 57.93 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.213 1.942 . . . . 0.0 111.748 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.11 -25.27 51.11 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.14 1.894 . . . . 0.0 112.755 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.82 72.54 68.43 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.88 140.7 35.62 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 121.922 1.748 . . . . 0.0 112.191 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -132.71 70.95 79.03 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.21 138.82 37.25 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.843 1.695 . . . . 0.0 112.162 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.84 63.05 5.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.49 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.43 -31.72 71.97 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.959 1.773 . . . . 0.0 112.151 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -175.99 -48.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -166.1 -27.89 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.237 0.336 . . . . 0.0 111.765 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -127.86 138.73 52.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -94.17 -176.69 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.994 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.56 79.22 0.3 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.095 0.474 . . . . 0.0 110.29 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -170.52 132.06 0.95 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.14 153.7 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.287 0.367 . . . . 0.0 110.324 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -170.5 168.03 7.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -132.48 138.31 47.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.112 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.4 tp -122.76 118.39 27.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -131.02 156.83 44.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.62 120.3 68.2 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -58.22 140.62 94.97 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.961 1.774 . . . . 0.0 111.997 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.5 tt -148.02 137.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.489 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.98 149.18 94.82 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.4 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 140.58 93.99 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.014 1.809 . . . . 0.0 112.016 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.27 157.35 31.72 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -83.5 55.16 4.86 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.195 1.93 . . . . 0.0 112.022 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.18 -40.78 86.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.681 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -115.93 156.36 46.71 Favored Pre-proline 0 CA--C 1.539 0.558 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.711 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.1 157.57 53.93 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.343 2.029 . . . . 0.0 112.658 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.62 161.61 45.42 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.311 2.008 . . . . 0.0 111.85 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt 61.94 153.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.414 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 52.17 82.0 0.07 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.0 p -131.26 160.99 33.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.815 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.0 128.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.67 42.56 0.28 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -143.85 105.93 4.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.788 -0.206 . . . . 0.0 110.538 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.9 -47.9 91.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -166.0 72.17 0.15 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.441 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.5 p -155.53 137.03 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.195 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -138.36 156.34 47.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 67.21 87.52 0.12 Allowed Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.413 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.84 164.42 34.69 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.509 2.139 . . . . 0.0 112.441 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.78 -176.42 0.73 Allowed 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.315 2.01 . . . . 0.0 112.383 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -60.36 152.15 65.54 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.993 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.17 -178.4 2.48 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.34 2.027 . . . . 0.0 112.786 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 49.22 33.43 5.09 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.234 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.5 p -163.47 162.07 24.51 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -137.45 58.0 15.84 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.87 153.78 63.64 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.179 1.919 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.66 -71.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -144.59 129.15 18.07 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -77.48 130.82 73.08 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.52 139.86 88.33 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.742 1.628 . . . . 0.0 111.817 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.09 154.35 52.36 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.089 1.859 . . . . 0.0 112.424 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -55.38 -31.87 79.24 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.239 1.959 . . . . 0.0 111.931 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 70.96 121.02 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.916 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.13 90.86 5.64 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.891 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.65 -41.43 61.46 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 121.963 1.775 . . . . 0.0 112.076 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.6 t 40.37 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.535 0.522 . . . . 0.0 111.304 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -92.37 102.9 15.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -120.86 36.56 4.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.375 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 67.42 26.86 8.23 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.52 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -121.25 145.19 48.12 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -157.4 156.06 31.58 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.135 0.272 . . . . 0.0 110.873 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.7 m 42.07 70.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.53 0.681 . . . . 0.0 112.313 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.85 86.48 2.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.182 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 55.48 22.05 4.79 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.706 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -76.24 125.32 28.95 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.1 mt -124.48 102.89 7.87 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.81 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -137.39 159.48 35.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -132.38 143.4 15.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.86 -46.21 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.5 t 47.09 66.61 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.329 0.585 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.13 99.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.93 63.47 1.32 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.344 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.0 t -118.81 122.81 43.26 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.58 -60.33 0.24 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.79 63.66 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.308 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.61 116.11 26.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.007 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -160.46 160.01 31.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.04 145.05 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.358 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.96 -43.82 2.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.848 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -170.55 177.63 43.6 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.1 t -137.39 147.32 45.37 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.063 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.69 -38.51 88.11 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.1 p -160.81 157.95 27.62 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -140.28 151.01 44.76 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.196 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.96 172.17 8.12 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.549 0.531 . . . . 0.0 110.071 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.11 149.8 52.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.6 145.91 42.94 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.191 0.307 . . . . 0.0 110.438 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.0 ttm -61.42 132.4 92.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.98 152.26 62.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.011 1.807 . . . . 0.0 112.494 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -63.13 133.54 54.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.132 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -85.88 135.66 33.61 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.54 -157.35 30.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 77.0 mt 57.53 177.88 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.32 143.56 46.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.557 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -69.45 -18.76 63.75 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.799 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 137.4 57.89 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 54.67 41.98 31.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.265 0.555 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -106.62 110.05 22.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -99.36 -53.69 3.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.612 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.696 -179.812 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.469 ' O ' HD13 ' A' ' 14' ' ' LEU . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 10' ' ' MET . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 13' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.527 ' HB2' HD11 ' A' ' 13' ' ' ILE . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.626 HG22 ' H ' ' A' ' 11' ' ' GLU . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 9' ' ' THR . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 2' ' ' SER . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' HD2' ' A' ' 8' ' ' PRO . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' GLU . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' GLU . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 9' ' ' THR . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 7' ' ' GLU . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 14' ' ' LEU . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' HG13 ' A' ' 17' ' ' ILE . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 16' ' ' SER . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 . . . . . 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 17' ' ' ILE . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.45 HG23 ' SD ' ' A' ' 1' ' ' MET . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' A' ' 1' ' ' MET . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 11' ' ' GLU . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 9' ' ' THR . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 . . . . . 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 9' ' ' THR . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 7' ' ' GLU . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 11' ' ' GLU . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' HG22 ' A' ' 9' ' ' THR . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HA ' HD12 ' A' ' 13' ' ' ILE . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 10' ' ' MET . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.469 ' O ' HD13 ' A' ' 14' ' ' LEU . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 10' ' ' MET . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -134.79 138.75 44.55 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.63 23.35 12.07 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -120.45 159.34 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.933 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 76' ' ' ASP . 6.8 tp -67.36 126.13 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.704 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.1 p -157.73 160.78 38.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -77.02 136.69 38.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.278 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 107' ' ' LEU . 70.0 m-20 -124.82 113.68 18.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.283 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -107.94 20.95 18.09 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 149.1 95.36 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.92 155.82 61.44 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.148 1.899 . . . . 0.0 112.488 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.43 154.7 43.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -145.32 55.39 2.91 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.33 155.81 55.45 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.9 1.733 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.61 140.4 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.271 0.357 . . . . 0.0 110.617 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.03 32.74 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.05 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -146.65 124.09 11.68 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.377 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.64 148.64 12.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.88 59.25 0.98 Allowed Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.165 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.93 145.95 41.12 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.034 1.823 . . . . 0.0 112.361 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.34 147.79 92.62 Favored 'Trans proline' 0 N--CA 1.503 2.046 0 C-N-CA 122.064 1.842 . . . . 0.0 111.684 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.78 150.97 68.77 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 121.882 1.721 . . . . 0.0 111.601 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.27 148.53 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.155 1.904 . . . . 0.0 112.042 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.02 -28.66 49.38 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.973 1.782 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 46.62 56.08 16.5 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.721 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.94 -20.91 50.74 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.355 2.037 . . . . 0.0 112.857 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.24 155.69 93.04 Favored Pre-proline 0 CA--C 1.543 0.702 0 O-C-N 123.3 0.375 . . . . 0.0 111.301 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -74.67 164.13 34.38 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.538 2.158 . . . . 0.0 112.075 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -127.65 65.36 66.94 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.13 -21.88 26.67 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.24 1.96 . . . . 0.0 112.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.5 133.19 69.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -66.69 159.71 27.18 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -73.47 -48.96 29.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.825 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -112.35 111.17 21.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.99 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -62.85 143.59 57.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.217 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -144.47 17.16 1.68 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.42 147.87 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.609 0.242 . . . . 0.0 110.719 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.9 mt -143.24 136.87 28.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.422 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' HD22 ' A' ' 56' ' ' LEU . 49.8 tt0 -150.16 115.61 5.48 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.447 0.467 . . . . 0.0 110.337 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 55' ' ' GLU . 3.6 mm? -125.51 112.75 16.59 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.935 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -63.3 -45.19 92.52 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.58 114.68 62.64 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.53 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 153.44 62.0 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.873 1.715 . . . . 0.0 111.97 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 pt -128.75 157.18 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.83 73.52 78.57 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.01 55.61 5.68 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.089 1.86 . . . . 0.0 112.203 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 59.2 159.52 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.046 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.95 68.44 8.3 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.249 1.966 . . . . 0.0 111.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -141.97 124.05 15.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.777 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp -137.11 83.03 28.64 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.289 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.99 145.28 98.08 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.279 1.986 . . . . 0.0 112.105 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.19 155.34 61.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.091 1.86 . . . . 0.0 111.886 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.9 tp -92.83 117.79 30.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -122.93 153.12 40.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.1 p -126.04 160.34 30.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.38 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 78' ' ' TYR . 13.1 p -135.51 141.29 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.791 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.36 79.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -168.13 177.1 5.69 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.61 -21.84 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 21' ' ' ILE . 98.6 m-20 -61.61 140.08 58.19 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.425 0.453 . . . . 0.0 110.134 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.09 131.68 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD2' HG22 ' A' ' 72' ' ' VAL . 96.4 m-85 -81.66 125.53 30.68 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.732 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.0 p -134.46 158.87 74.21 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.009 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.55 152.13 78.76 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.908 1.739 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -66.11 -23.71 52.86 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 122.222 1.948 . . . . 0.0 113.087 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -128.14 70.09 78.25 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.287 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.06 58.35 6.94 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.241 1.961 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.38 -43.79 96.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.617 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -114.82 44.29 1.8 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.168 0.508 . . . . 0.0 111.042 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -128.14 74.48 79.25 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.61 142.21 47.94 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.109 1.873 . . . . 0.0 112.675 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 173.35 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.687 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -70.41 -29.86 66.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.321 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 m -111.27 101.2 49.86 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.15 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.26 161.98 37.16 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.232 1.955 . . . . 0.0 112.475 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.78 165.14 32.0 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.259 1.973 . . . . 0.0 111.539 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.25 141.82 89.26 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.2 23.53 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.744 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.96 54.58 7.69 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 123.431 0.457 . . . . 0.0 111.457 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -82.07 146.56 14.41 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.341 2.028 . . . . 0.0 111.445 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.14 128.73 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.22 134.55 51.88 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -104.98 156.83 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.539 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -57.26 95.65 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.29 112.79 19.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.705 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -146.08 142.37 28.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.92 153.12 10.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.647 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.25 -74.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.443 0.465 . . . . 0.0 110.461 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.89 -87.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.331 0.395 . . . . 0.0 110.45 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -158.83 -27.97 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 ' OD1' ' A' ' 24' ' ' ASP . 4.9 tt -55.58 -72.8 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.86 128.15 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.746 0.307 . . . . 0.0 110.469 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.45 66.23 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t 44.87 90.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 122.257 0.223 . . . . 0.0 110.634 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.4 p -154.53 160.81 41.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.718 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.73 -47.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.27 165.05 0.03 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.7 m -129.1 154.64 46.5 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.65 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.74 157.38 24.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.22 149.32 41.23 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.268 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.3 t -167.93 114.84 0.71 Allowed 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.1 31.77 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.56 145.87 51.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.064 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.18 138.26 23.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.5 p -71.09 161.26 31.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.683 0.278 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 123' ' ' LEU . 1.3 pt? -147.46 170.26 17.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.468 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.7 p -161.03 162.28 31.7 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 t -140.22 55.21 1.62 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.475 0.655 . . . . 0.0 109.537 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.52 155.51 33.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.4 pp -156.57 159.02 38.13 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.1 mp -67.22 139.11 57.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.609 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -132.2 81.5 61.12 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.997 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.07 -24.96 44.39 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.275 1.984 . . . . 0.0 112.851 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -90.83 133.19 35.4 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.351 0.407 . . . . 0.0 110.788 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -118.01 -43.74 2.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.335 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 72.51 60.5 4.0 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.82 -40.24 94.58 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.588 0.228 . . . . 0.0 110.707 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -77.41 143.94 38.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.345 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -148.8 132.53 16.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.125 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -155.44 137.38 14.52 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.251 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -146.32 -59.52 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.277 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -72.56 147.42 45.93 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.45 147.07 48.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.2 t60 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.755 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 107' ' ' LEU . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 106' ' ' GLN . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -132.4 140.93 48.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -55.66 129.44 39.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.936 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -102.03 -6.59 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.365 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.19 102.86 11.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.2 m -139.32 156.77 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -147.06 145.78 29.78 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.462 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -149.88 146.27 27.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.504 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -105.78 18.28 22.39 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 149.04 98.04 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.0 -21.83 48.94 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.147 1.898 . . . . 0.0 112.83 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.89 76.59 0.3 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.325 0.584 . . . . 0.0 110.083 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -145.41 56.59 3.63 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.049 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.83 153.51 63.99 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.917 1.745 . . . . 0.0 112.164 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.53 36.11 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.17 151.45 35.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.137 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.383 0.427 . . . . 0.0 110.724 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.44 109.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.29 113.6 60.5 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.568 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.95 -43.67 56.13 Favored 'Trans proline' 0 N--CA 1.504 2.105 0 C-N-CA 121.942 1.761 . . . . 0.0 113.533 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.74 157.36 43.91 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.798 1.665 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.28 156.13 62.66 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.265 1.977 . . . . 0.0 112.197 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.42 156.04 62.46 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.22 1.947 . . . . 0.0 112.292 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.86 152.87 68.9 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.184 1.922 . . . . 0.0 112.128 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.89 151.37 95.13 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.39 155.35 60.22 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.216 1.944 . . . . 0.0 112.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.38 156.06 80.64 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.45 149.25 62.19 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.055 1.837 . . . . 0.0 112.235 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.12 71.52 82.2 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.88 153.8 63.61 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.186 1.924 . . . . 0.0 111.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.21 153.85 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -109.01 12.38 25.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -98.26 -0.34 44.19 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -89.95 96.36 10.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -117.97 -59.43 1.91 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -158.2 140.66 14.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.78 123.59 57.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.46 147.3 53.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.939 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.88 23.04 2.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.935 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -118.47 146.31 44.6 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -153.78 137.61 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -93.24 151.16 40.16 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.35 143.62 48.51 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.763 1.642 . . . . 0.0 111.775 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 60' ' ' ILE . 8.2 tp -172.16 45.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 62' ' ' PRO . . . -60.13 -52.2 75.02 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 73.9 Cg_endo -73.71 146.34 38.25 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 121.861 1.707 . . . . 0.0 112.641 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -137.33 149.96 67.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.79 -37.56 95.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.991 1.794 . . . . 0.0 111.262 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -150.42 161.77 41.85 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.818 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.3 mp -109.14 148.7 38.5 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.733 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.75 146.51 95.36 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 122.194 1.929 . . . . 0.0 111.649 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.43 142.94 46.23 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.822 1.681 . . . . 0.0 111.94 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -128.1 125.07 38.49 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.945 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -117.53 136.43 53.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.567 HG22 ' OD2' ' A' ' 101' ' ' ASP . 48.2 m -136.53 129.16 30.52 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.927 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.38 126.23 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.26 175.95 38.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.86 81.33 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.026 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.8 -45.71 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t0 58.26 87.49 0.07 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.965 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.03 135.33 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.667 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -167.47 158.44 11.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.4 t -120.46 94.48 48.79 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.61 -42.56 66.42 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.105 1.87 . . . . 0.0 113.701 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.2 130.75 41.88 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.69 1.593 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.07 -50.8 67.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.51 154.55 50.27 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.866 1.711 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 54.11 58.29 5.15 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.7 t -88.82 134.37 33.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.808 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -138.57 75.76 37.37 Favored Pre-proline 0 CA--C 1.547 0.849 0 O-C-N 123.297 0.373 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 146.62 50.84 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.028 1.819 . . . . 0.0 111.739 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.24 150.84 20.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -158.17 78.51 0.82 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.7 p -81.55 156.85 70.58 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.15 153.6 57.05 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.189 1.926 . . . . 0.0 112.169 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.26 149.55 63.88 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.165 1.91 . . . . 0.0 112.227 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.96 -27.84 25.05 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.084 1.856 . . . . 0.0 113.012 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.04 155.54 25.48 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.335 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB3' ' HD2' ' A' ' 100' ' ' ARG . . . 52.94 71.07 1.54 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.071 178.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.79 -37.84 76.91 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.125 1.883 . . . . 0.0 111.989 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.56 154.68 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.628 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 57.84 166.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -107.36 26.71 9.88 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.613 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 1.7 mpp_? 58.6 19.7 6.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.21 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.567 ' OD2' HG22 ' A' ' 71' ' ' THR . 4.7 t0 -64.98 156.04 32.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -177.64 -41.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.068 0.23 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 10.9 p -114.22 32.44 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.76 -162.48 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.578 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -155.97 156.77 35.09 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' H ' HD13 ' A' ' 17' ' ' ILE . 98.4 mm-40 -99.56 12.03 37.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.468 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 14' ' ' LEU . 30.4 mt -125.81 -62.19 1.2 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.4 p -143.45 145.2 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.16 0.287 . . . . 0.0 110.607 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.88 77.72 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.3 m -142.01 152.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -72.62 158.41 35.7 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.05 0.219 . . . . 0.0 110.443 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.51 158.44 34.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.91 148.14 28.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.411 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.4 p -157.79 159.19 36.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -159.72 155.64 26.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.793 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.82 -55.83 0.67 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.44 0.463 . . . . 0.0 110.546 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.91 33.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.705 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.3 p -112.2 9.66 20.1 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.464 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.59 145.53 55.51 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 120.565 0.221 . . . . 0.0 110.8 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -69.95 146.03 51.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.22 34.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.3 p -155.09 161.07 41.38 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.22 129.49 56.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.6 p -165.55 156.93 14.23 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.1 p -149.87 161.21 42.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.431 0.457 . . . . 0.0 110.459 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.71 152.43 37.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -167.25 119.06 0.91 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -103.38 142.8 33.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.3 mmt 51.69 62.91 10.17 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.38 -37.41 81.56 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.203 1.935 . . . . 0.0 112.145 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -151.48 158.84 44.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -136.07 -58.01 0.76 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.565 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.8 107.12 0.37 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.07 139.7 51.31 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.654 0.264 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -144.36 133.03 22.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.074 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -152.32 138.95 18.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.326 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -75.84 147.81 38.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.429 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -156.28 163.4 39.59 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.62 148.18 48.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -66.9 -20.31 65.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.204 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 13' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.527 ' HB2' HD11 ' A' ' 13' ' ' ILE . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.626 HG22 ' H ' ' A' ' 11' ' ' GLU . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 9' ' ' THR . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 2' ' ' SER . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 41.51 -101.51 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -135.92 141.43 44.52 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 118.254 0.479 . . . . 0.0 110.351 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.16 -45.14 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.246 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 pt -125.66 154.24 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 123.246 0.342 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -136.78 15.14 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.011 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -120.82 30.02 7.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.937 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.98 98.09 9.62 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -88.8 86.37 6.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.914 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 153.12 75.71 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.05 -20.19 70.8 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.312 2.008 . . . . 0.0 112.932 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 119' ' ' ALA . . . -80.61 51.59 1.51 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.376 0.608 . . . . 0.0 110.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -148.31 64.14 7.79 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.17 161.12 45.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.071 1.847 . . . . 0.0 112.141 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.74 155.46 31.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.48 139.03 31.4 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.973 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 49.49 29.08 2.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.423 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.49 137.62 54.56 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.22 159.3 26.62 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.826 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 154.4 65.03 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.144 1.896 . . . . 0.0 111.971 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.63 150.78 69.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.053 1.835 . . . . 0.0 112.22 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.16 155.6 56.42 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.367 2.045 . . . . 0.0 112.251 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.64 144.99 91.52 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.189 1.926 . . . . 0.0 111.75 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.47 147.39 58.21 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.023 1.815 . . . . 0.0 112.451 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -136.53 155.06 77.14 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.18 148.66 62.81 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.969 1.779 . . . . 0.0 111.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.28 149.05 91.49 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.679 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.74 149.02 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.121 1.881 . . . . 0.0 111.977 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -130.86 70.69 82.59 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.535 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.48 -28.15 53.98 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.132 1.888 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.14 141.68 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.975 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -128.6 122.01 29.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -147.34 124.38 11.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -111.73 172.92 6.61 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -149.02 -55.46 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.169 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.86 19.52 0.13 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.08 -16.2 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.918 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 tp 62.0 144.67 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -134.42 138.4 44.77 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.244 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 tp -136.36 123.31 21.43 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.52 0.512 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.7 p -74.58 161.71 29.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.895 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -80.58 146.59 61.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.98 155.01 43.0 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.991 1.794 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.63 -33.67 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.75 152.57 95.15 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.443 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.14 141.67 94.33 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.219 1.946 . . . . 0.0 112.09 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -130.64 86.79 51.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.205 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.93 142.76 96.67 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.122 1.882 . . . . 0.0 112.077 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -94.47 129.84 41.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.7 mt -114.82 98.76 50.69 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.82 159.38 50.79 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.095 1.863 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.56 159.4 53.71 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.22 1.947 . . . . 0.0 111.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.5 pt? -142.35 145.17 33.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -120.3 147.22 45.28 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.447 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.0 t -145.82 151.07 37.33 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.79 140.39 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.78 147.02 18.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.7 32.89 0.77 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.878 0.371 . . . . 0.0 110.885 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 75' ' ' ILE . 6.5 tp -90.13 97.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -122.75 119.79 31.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -141.25 129.95 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 123.335 0.397 . . . . 0.0 111.4 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -131.23 150.11 52.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.077 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.2 m -65.73 149.18 97.69 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.195 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.3 150.31 64.71 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.993 1.795 . . . . 0.0 112.237 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.87 138.38 85.58 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.189 1.926 . . . . 0.0 111.715 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -90.72 -57.79 0.25 Allowed Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.137 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.89 -49.27 0.56 Allowed 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.834 1.69 . . . . 0.0 113.468 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 179.49 171.58 0.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.227 0.329 . . . . 0.0 110.692 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.9 p -168.44 156.1 8.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.624 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -73.31 154.98 90.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.02 145.43 85.75 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.156 1.904 . . . . 0.0 111.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.97 142.28 43.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -111.53 127.3 55.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.825 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -134.91 158.86 74.05 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.69 146.81 90.65 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.334 2.022 . . . . 0.0 111.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 153.85 63.55 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.104 1.869 . . . . 0.0 112.158 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 60.8 Cg_endo -71.1 157.43 57.66 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.283 1.988 . . . . 0.0 112.094 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 93' ' ' PRO . . . 72.6 168.03 0.31 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.205 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.53 156.96 32.74 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.9 -28.13 58.61 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.152 1.901 . . . . 0.0 112.638 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.4 t -145.55 -64.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.228 0.33 . . . . 0.0 110.199 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -152.65 136.08 15.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -103.29 26.36 8.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.909 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.91 40.53 30.51 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.167 0.508 . . . . 0.0 110.634 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -96.23 40.1 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.21 -42.31 98.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.103 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.54 140.64 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.575 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.02 155.92 14.35 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.44 0.463 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -117.74 87.85 2.8 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.917 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -120.1 1.02 10.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.828 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.9 tp 70.75 -66.9 0.27 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.637 0.375 . . . . 0.0 110.191 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.4 156.89 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.94 133.18 12.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.95 -29.99 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.836 -0.182 . . . . 0.0 111.09 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.6 p -150.87 162.36 40.93 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.433 0.458 . . . . 0.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.38 56.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.06 152.7 30.79 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.3 p -84.22 156.19 22.14 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.36 0.412 . . . . 0.0 110.375 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 154.52 32.1 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -132.55 -21.47 2.24 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.892 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 61.42 118.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -115.81 68.19 0.72 Allowed 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.409 0.623 . . . . 0.0 109.33 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -64.49 146.06 55.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.903 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -150.33 160.26 43.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -93.9 -169.9 38.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -147.1 145.47 29.61 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -69.9 125.6 27.23 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.187 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -157.27 140.15 15.15 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.3 m -107.13 -27.02 10.85 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.863 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.75 34.64 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.66 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -137.36 144.85 42.71 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.275 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.3 111.03 22.38 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.187 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.4 mtp -136.24 153.63 76.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.723 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.89 153.91 63.54 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.188 1.925 . . . . 0.0 111.852 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -105.43 136.11 45.59 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -113.89 138.0 50.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.732 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.21 165.62 38.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 tp -147.02 120.05 8.79 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -145.52 129.44 17.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.911 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -149.59 127.76 12.04 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.953 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -136.42 143.27 43.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -132.92 97.82 4.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -124.91 17.59 8.57 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.788 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -132.68 144.7 50.5 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.683 0.278 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.729 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' HD2' ' A' ' 8' ' ' PRO . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' GLU . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 75' ' ' ILE . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' GLU . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD11 HD13 ' A' ' 107' ' ' LEU . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -47.66 154.27 0.49 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -147.3 165.29 30.58 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.123 0.264 . . . . 0.0 110.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tp -128.27 143.15 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.154 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -76.54 136.48 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.343 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -111.1 118.76 36.88 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -63.51 -40.98 98.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.684 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -142.08 116.32 9.49 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.415 0.447 . . . . 0.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.23 -34.84 14.11 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.431 0.457 . . . . 0.0 110.694 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 155.14 91.36 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.84 143.25 96.03 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 122.159 1.906 . . . . 0.0 111.973 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 145.59 53.79 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -137.32 57.29 14.11 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.17 157.0 38.0 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.871 1.714 . . . . 0.0 112.021 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.81 8.63 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 109.91 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.75 137.81 5.76 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.798 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -154.38 148.26 25.56 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.685 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.46 118.83 24.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.946 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -168.02 167.62 6.57 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.687 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 57.6 Cg_endo -69.85 160.47 49.57 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.086 1.857 . . . . 0.0 111.506 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.34 147.61 83.25 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.958 1.772 . . . . 0.0 111.945 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -72.44 149.8 50.85 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.021 1.814 . . . . 0.0 112.649 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.54 149.73 85.27 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.237 1.958 . . . . 0.0 111.807 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.43 -18.47 60.04 Favored 'Trans proline' 0 N--CA 1.504 2.118 0 C-N-CA 122.066 1.844 . . . . 0.0 112.582 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.78 69.33 35.33 Favored Pre-proline 0 CA--C 1.548 0.879 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.75 153.96 64.1 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.255 1.97 . . . . 0.0 112.321 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.37 155.8 79.49 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.301 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.68 140.84 84.6 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.177 1.918 . . . . 0.0 112.063 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.06 151.5 94.86 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.012 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.12 161.32 45.0 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.269 1.979 . . . . 0.0 112.025 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.86 157.84 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -61.01 -44.61 97.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.058 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -117.58 126.1 51.96 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.466 0.479 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -110.6 77.44 1.04 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.187 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -166.88 170.99 11.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.699 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -151.72 103.21 2.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.93 61.41 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.642 0.734 . . . . 0.0 109.409 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.6 mt 59.7 68.94 0.74 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -107.33 40.85 1.6 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.65 136.84 56.82 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.0 p -118.09 15.41 14.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -70.11 135.52 87.15 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 118.944 -0.55 . . . . 0.0 109.811 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.05 -23.2 34.27 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.703 1.602 . . . . 0.0 113.032 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp -140.78 142.55 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.215 0.322 . . . . 0.0 111.08 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.87 76.96 77.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.844 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.94 96.94 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.404 2.069 . . . . 0.0 112.517 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.61 156.35 78.79 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.255 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.22 143.34 48.33 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.952 1.768 . . . . 0.0 112.566 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.01 -40.81 96.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.717 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.5 mp -90.92 154.93 45.43 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.547 0.529 . . . . 0.0 110.321 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.99 141.66 93.94 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.144 1.896 . . . . 0.0 111.385 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.54 120.01 6.0 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.74 1.627 . . . . 0.0 112.594 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.49 -38.0 89.51 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.566 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -47.62 155.2 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.5 m -95.18 127.28 41.1 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 m -49.36 143.75 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.995 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.4 142.58 44.5 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -162.01 163.99 28.53 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.667 0.27 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD13 ' OE2' ' A' ' 105' ' ' GLU . 46.4 mm -109.21 -32.67 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.721 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.64 88.04 1.53 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.18 138.85 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.42 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.94 134.82 55.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.092 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.6 m -132.5 153.42 81.16 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.306 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.05 164.38 34.55 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.461 2.107 . . . . 0.0 112.197 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 155.66 68.57 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.112 1.875 . . . . 0.0 111.848 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -135.24 84.03 36.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.07 148.28 56.29 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.095 1.863 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.83 -42.35 24.49 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.577 0.548 . . . . 0.0 110.275 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.1 p -172.57 159.92 4.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.672 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.4 62.83 52.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 123.057 0.223 . . . . 0.0 110.618 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.61 155.95 31.72 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.387 2.058 . . . . 0.0 112.305 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.4 89.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.37 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.5 -38.74 85.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.54 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 m -75.43 146.76 81.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.28 155.23 30.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.134 1.889 . . . . 0.0 112.653 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.8 170.77 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.284 1.989 . . . . 0.0 112.111 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -49.62 135.49 34.03 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.106 1.871 . . . . 0.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.45 -28.87 69.53 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.5 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.74 53.15 13.52 Favored Pre-proline 0 CA--C 1.556 1.186 0 O-C-N 123.258 0.349 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.84 -26.19 22.75 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.058 1.839 . . . . 0.0 112.368 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.523 HG23 ' OD2' ' A' ' 101' ' ' ASP . 12.0 p -148.71 136.52 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -156.03 82.62 1.0 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 58.33 167.27 0.05 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.131 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 52.76 48.84 21.61 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.382 0.61 . . . . 0.0 109.823 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 97' ' ' VAL . 53.7 t0 -137.72 104.04 5.19 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.073 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -70.65 131.2 43.56 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.361 0.413 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.8 m -82.24 173.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.13 152.1 39.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 75' ' ' ILE . 43.3 tp10 -49.33 125.6 11.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.387 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.33 -39.26 78.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 17' ' ' ILE . 65.1 mt -56.55 128.48 36.41 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.285 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 108' ' ' VAL . 18.0 t 35.99 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 123.809 0.693 . . . . 0.0 111.704 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.36 -178.28 42.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.9 t 54.65 85.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.904 0.383 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 t -64.3 141.19 58.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.12 27.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.16 28.88 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m 61.33 143.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.34 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.36 151.17 27.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.533 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.02 16.11 1.55 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.269 0.355 . . . . 0.0 111.737 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.62 30.81 6.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.715 0.293 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.8 m -140.07 135.52 32.68 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.51 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.348 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -130.59 143.92 51.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 166.18 47.01 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.7 m -129.84 146.3 51.57 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.4 tp -136.69 69.23 1.42 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.307 0.575 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.3 m -146.76 137.81 24.09 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.1 p -111.96 -26.57 8.83 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.423 0.452 . . . . 0.0 111.369 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.79 73.78 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.414 0.446 . . . . 0.0 110.16 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt 22.83 94.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.658 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.0 mt -124.75 131.0 53.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.845 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.0 ttm -148.57 67.0 9.38 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.04 149.54 46.83 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.241 1.961 . . . . 0.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -142.3 93.48 2.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.887 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 54.25 177.44 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.627 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.77 74.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 85.0 mt -130.94 159.04 38.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.924 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -61.43 -39.23 90.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.639 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 43.6 m80 59.23 38.9 23.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.196 0.522 . . . . 0.0 110.563 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -62.52 139.86 58.61 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.06 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -104.02 145.29 30.37 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -124.41 137.31 54.47 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -157.65 164.38 37.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.527 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 9' ' ' THR . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 7' ' ' GLU . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 107' ' ' LEU . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.555 HD11 HD13 ' A' ' 107' ' ' LEU . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -89.61 43.2 1.13 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -139.96 142.93 36.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.909 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm 67.48 122.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.985 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.7 tt -139.66 152.07 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.172 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.1 p -150.59 160.23 43.95 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -152.11 137.27 17.4 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.0 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 56.13 96.96 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.093 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.39 -40.85 7.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.7 117.01 67.97 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.4 -24.32 43.15 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 121.803 1.669 . . . . 0.0 112.166 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.65 35.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.09 64.87 13.14 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.35 -30.41 81.03 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.282 1.988 . . . . 0.0 112.584 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.42 141.67 47.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.978 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.25 162.98 38.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.496 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -126.73 92.97 3.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.21 149.0 4.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.91 25.41 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.603 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.18 152.79 63.49 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.412 2.075 . . . . 0.0 111.62 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.75 151.51 82.36 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.848 1.698 . . . . 0.0 111.91 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.78 153.61 64.13 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.21 1.94 . . . . 0.0 112.538 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.71 146.87 90.58 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.214 1.942 . . . . 0.0 111.932 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.47 152.26 65.55 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.095 1.864 . . . . 0.0 112.317 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -129.51 77.1 77.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.26 -25.56 71.99 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.189 1.926 . . . . 0.0 112.535 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -62.0 133.64 94.05 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.025 -0.512 . . . . 0.0 109.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.5 148.5 60.41 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.892 1.728 . . . . 0.0 112.12 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -74.71 157.11 86.26 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.3 153.73 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.175 1.917 . . . . 0.0 111.949 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.68 134.68 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.439 0.462 . . . . 0.0 110.364 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.16 141.7 55.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -64.45 -43.33 94.61 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.444 0.465 . . . . 0.0 110.239 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -93.32 -178.85 4.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.144 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 53.19 60.59 3.65 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.313 0.578 . . . . 0.0 110.715 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -134.24 117.16 16.16 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.71 161.79 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.316 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.85 126.43 41.11 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -138.56 114.79 10.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.35 138.09 50.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -150.68 156.94 42.33 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -74.74 157.58 85.7 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.54 144.85 96.7 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.682 1.588 . . . . 0.0 112.067 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 60' ' ' ILE . 4.7 mp -113.97 126.98 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.59 151.13 66.91 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.44 156.95 53.87 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.392 2.061 . . . . 0.0 112.588 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -127.93 151.34 75.6 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.93 139.41 36.12 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.005 1.803 . . . . 0.0 112.447 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -169.26 147.02 3.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.111 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -102.69 120.69 52.04 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' N ' HD23 ' A' ' 66' ' ' LEU . 55.4 Cg_endo -68.07 152.4 76.54 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.949 1.766 . . . . 0.0 112.185 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.59 111.18 2.27 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.929 1.753 . . . . 0.0 112.388 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.5 mt -145.2 136.06 24.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.75 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.81 -34.29 76.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.292 0.37 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m 43.39 78.05 0.06 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.135 0.493 . . . . 0.0 111.485 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.93 156.48 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.961 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.59 36.84 0.99 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.86 103.8 5.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.546 0.212 . . . . 0.0 110.586 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.44 -44.61 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t0 67.92 139.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.716 HG12 ' HD2' ' A' ' 78' ' ' TYR . 17.9 t -87.54 -62.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.716 ' HD2' HG12 ' A' ' 77' ' ' VAL . 32.8 p90 -170.31 15.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.0 -60.88 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.028 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.71 117.67 4.93 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 121.603 1.535 . . . . 0.0 112.168 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.4 -33.63 13.82 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.794 1.662 . . . . 0.0 112.272 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -71.32 148.37 93.56 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.9 154.82 53.5 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.189 1.926 . . . . 0.0 112.174 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -122.03 123.51 41.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.884 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.2 p -146.49 164.61 31.96 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.563 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.85 73.57 75.85 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 153.23 74.44 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.134 1.889 . . . . 0.0 111.94 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.83 159.67 38.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -63.17 -38.87 92.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 t -124.74 132.07 24.24 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 118.911 -0.566 . . . . 0.0 109.974 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.35 149.72 69.86 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 121.698 1.598 . . . . 0.0 112.351 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.26 158.35 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.269 1.979 . . . . 0.0 112.311 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.18 155.39 64.65 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.137 1.892 . . . . 0.0 111.83 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.34 133.52 54.4 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.13 72.0 14.64 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.596 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.16 136.6 75.99 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 122.118 1.878 . . . . 0.0 112.151 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.33 -30.93 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -60.88 143.12 55.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.897 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.87 72.3 6.55 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 53.58 15.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -69.92 -51.71 30.69 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.597 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -113.0 91.28 3.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.431 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.34 152.33 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.64 ' HA ' HG13 ' A' ' 108' ' ' VAL . . . 50.83 63.64 2.15 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 111.036 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.86 -43.89 81.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -177.97 -36.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.197 0.311 . . . . 0.0 110.997 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 17' ' ' ILE . 67.7 mt -73.41 -46.94 45.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.358 0.599 . . . . 0.0 110.628 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.64 HG13 ' HA ' ' A' ' 104' ' ' ALA . 12.6 p -108.56 159.52 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.513 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 108' ' ' VAL . . . 137.38 24.46 0.43 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.34 133.15 62.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.3 m -63.63 -43.13 97.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.319 0.387 . . . . 0.0 110.488 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -167.13 158.85 12.48 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.516 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.32 145.09 27.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.3 p -158.82 163.57 36.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.02 36.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.731 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.11 28.04 1.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.561 0.538 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.02 128.82 25.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.059 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -160.11 145.21 14.98 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.5 140.28 32.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.51 0.506 . . . . 0.0 110.103 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -162.24 159.22 25.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -151.98 156.53 26.75 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.6 m -161.16 106.83 1.38 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.15 -45.49 91.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.975 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.1 p -116.7 -23.48 8.14 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.724 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.1 m 62.77 38.77 11.51 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.02 135.23 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.7 mt -142.8 141.45 31.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.407 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.82 139.89 45.73 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.388 0.43 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -106.13 149.94 38.75 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.06 75.32 5.08 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.293 1.996 . . . . 0.0 112.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.72 -40.41 94.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.37 119.19 23.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.21 139.07 6.94 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 134' ' ' LEU . 3.9 tt -177.81 108.17 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.65 159.53 38.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -156.63 162.71 39.85 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -155.02 140.8 18.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -133.19 148.64 52.05 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.504 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.53 129.86 17.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.71 138.19 57.8 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.18 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HG3' HD11 ' A' ' 75' ' ' ILE . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 53.17 72.88 0.4 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -105.65 130.64 53.64 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 pt -55.23 141.35 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.541 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.413 HG21 ' O ' ' A' ' 109' ' ' GLY . 76.7 mt -123.8 132.91 70.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.913 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -114.07 113.33 24.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.143 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -136.56 139.72 42.39 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.33 -29.64 14.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.426 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.09 23.55 7.2 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.658 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . . . -78.53 117.59 67.28 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.324 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.25 -14.13 20.7 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.227 1.952 . . . . 0.0 113.504 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.75 92.84 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.805 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.27 61.32 1.03 Allowed Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -61.25 -28.71 85.23 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 -58.16 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.298 0.374 . . . . 0.0 110.248 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 50.31 20.14 0.62 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.999 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -177.14 176.02 1.44 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.89 148.65 22.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.23 87.73 51.4 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.598 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.39 150.36 75.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.272 1.981 . . . . 0.0 112.158 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.25 151.09 53.96 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.118 1.879 . . . . 0.0 111.966 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 149.42 51.73 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.223 1.948 . . . . 0.0 112.135 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.7 154.14 71.9 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.151 1.901 . . . . 0.0 112.167 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.36 140.12 87.89 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 122.185 1.923 . . . . 0.0 112.256 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.11 62.35 56.25 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.08 150.26 66.03 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.185 1.923 . . . . 0.0 112.153 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 60.87 152.79 0.1 Allowed Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.76 146.79 91.23 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.106 1.871 . . . . 0.0 112.17 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.55 70.06 79.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.057 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.94 -17.18 36.92 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.418 2.079 . . . . 0.0 112.995 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.73 149.22 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.584 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 t 60.52 32.21 20.43 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.76 -47.18 87.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.741 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -56.96 143.84 36.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.078 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -153.58 159.38 42.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.738 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.7 131.03 12.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.78 164.1 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.454 0.471 . . . . 0.0 110.981 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -115.43 164.25 14.55 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -146.58 144.94 29.91 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.0 tp -154.33 127.74 8.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.744 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -131.17 157.46 43.1 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.93 123.26 65.26 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.044 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.97 147.33 73.86 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.8 1.667 . . . . 0.0 112.22 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.7 mt -122.31 132.18 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.34 60.89 14.84 Favored Pre-proline 0 CA--C 1.551 1.003 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.974 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.19 145.98 62.22 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.96 1.773 . . . . 0.0 112.155 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -73.79 153.66 89.22 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.23 152.06 72.07 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.051 1.834 . . . . 0.0 111.6 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.43 -45.38 93.86 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.416 0.448 . . . . 0.0 110.429 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 tp -162.61 138.86 5.75 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.49 150.05 78.07 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 121.979 1.786 . . . . 0.0 111.586 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 -40.69 63.37 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 121.855 1.703 . . . . 0.0 111.709 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -170.46 -72.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.22 132.56 41.65 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.663 0.268 . . . . 0.0 110.451 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 72' ' ' VAL . 6.2 t -124.42 -48.53 1.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.706 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 71' ' ' THR . 59.6 t -126.44 129.01 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.35 147.0 18.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 59.76 74.18 0.45 Allowed 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.404 HD11 ' HG3' ' A' ' 11' ' ' GLU . 90.6 mt -58.56 -50.74 77.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.795 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -172.03 159.85 5.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.037 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.22 155.02 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -118.98 -91.44 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.307 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.6 p 39.9 66.06 3.38 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 117.836 0.289 . . . . 0.0 111.423 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.66 107.28 0.17 Allowed 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.967 1.778 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.14 124.09 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 122.514 2.142 . . . . 0.0 112.008 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -48.07 -44.09 58.97 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.705 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.89 -44.77 30.95 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 121.503 1.469 . . . . 0.0 112.105 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -127.0 119.37 26.5 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.0 p -158.71 175.66 13.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.267 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -66.66 162.84 47.46 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' THR . 88.2 Cg_exo -49.61 150.01 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.224 1.949 . . . . 0.0 112.196 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.55 86.55 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.301 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -79.18 76.38 5.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 9.8 t -152.57 140.78 13.61 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.81 148.68 58.81 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.808 1.672 . . . . 0.0 111.729 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -71.57 147.19 51.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.013 1.808 . . . . 0.0 112.061 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.3 -30.83 23.75 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.885 1.723 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.67 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 45.41 55.89 14.85 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.183 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.29 138.75 36.83 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.94 1.76 . . . . 0.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.15 -11.03 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.008 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 57.54 101.09 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -151.42 97.26 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 54.66 54.04 9.77 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.653 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.72 -59.0 6.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 44.31 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.27 136.22 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.13 93.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.895 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -167.03 147.35 5.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.576 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -140.33 50.98 1.68 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.205 0.526 . . . . 0.0 110.621 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -72.47 149.79 43.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.68 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -130.96 146.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.499 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' O ' HG21 ' A' ' 21' ' ' ILE . . . -160.29 -176.44 32.39 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.688 ' CG1' ' HB1' ' A' ' 26' ' ' ALA . 62.9 t -115.41 122.75 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.6 p -123.46 -35.25 2.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.839 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.93 155.53 34.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.366 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.697 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -156.46 158.63 37.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.1 t -156.65 59.29 0.55 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.429 0.633 . . . . 0.0 110.793 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.86 157.55 36.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.07 39.64 2.52 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.707 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 11.02 27.24 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.909 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.3 p -159.72 158.62 31.65 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.21 175.9 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -62.46 168.49 3.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 176.32 179.44 46.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -123.16 144.27 49.46 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.642 0.258 . . . . 0.0 110.771 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 124' ' ' SER . 0.3 OUTLIER -149.17 127.26 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.297 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.537 ' N ' HD13 ' A' ' 123' ' ' LEU . 66.3 m -139.22 119.69 13.94 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.0 m -100.24 6.98 44.75 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.34 0.4 . . . . 0.0 111.943 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.09 151.1 44.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.59 0.233 . . . . 0.0 110.741 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.4 tp -152.81 -38.95 0.1 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.601 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.0 mp 58.45 16.73 4.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.669 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.7 mtp -135.98 152.24 75.26 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.481 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.24 144.99 47.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.031 1.821 . . . . 0.0 111.599 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -90.02 -54.71 3.92 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.67 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -129.75 157.51 41.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.86 -131.44 6.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.01 138.68 54.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.625 0.25 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -127.3 129.04 46.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.091 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.23 -43.5 98.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.6 t60 58.69 53.78 5.75 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -153.48 141.83 20.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.267 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -131.16 143.73 50.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.285 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.54 -46.59 89.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.76 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.247 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HE ' HG23 ' A' ' 21' ' ' ILE . 55.5 ttt85 -34.43 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -93.58 132.25 38.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.354 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.6 mt 58.34 100.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG23 ' HE ' ' A' ' 18' ' ' ARG . 73.4 mt -99.88 -56.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.923 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -124.08 -64.78 1.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.262 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 57.7 34.1 24.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.001 0.429 . . . . 0.0 110.378 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -132.07 44.81 2.85 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.058 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.23 86.57 2.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.725 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.64 147.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.307 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.02 149.66 59.23 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.142 1.894 . . . . 0.0 112.355 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 25.3 11.93 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.09 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.52 63.07 11.95 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.47 142.63 58.27 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.816 1.677 . . . . 0.0 112.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.15 158.78 43.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.467 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.14 150.3 37.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -139.46 162.78 34.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.93 137.05 47.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.952 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.5 56.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.083 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -57.22 153.05 41.82 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.465 2.11 . . . . 0.0 111.904 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.0 145.0 54.53 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 122.205 1.937 . . . . 0.0 112.38 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.73 160.27 49.96 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.379 2.053 . . . . 0.0 112.436 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.56 145.26 81.65 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.231 1.954 . . . . 0.0 111.835 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.1 140.31 86.66 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.002 1.801 . . . . 0.0 112.462 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -123.48 92.41 48.82 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.979 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.74 149.86 73.56 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 121.977 1.785 . . . . 0.0 112.232 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -141.89 157.55 64.13 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.06 158.12 57.61 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.077 1.851 . . . . 0.0 111.92 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -58.44 136.07 85.54 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.027 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.75 151.37 69.13 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 121.969 1.779 . . . . 0.0 112.382 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.93 13.1 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.831 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.9 t 58.89 53.59 5.63 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.588 0.709 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -138.0 123.61 19.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -88.12 -178.35 5.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.01 -63.63 1.06 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.434 0.459 . . . . 0.0 109.797 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -141.34 -63.69 0.45 Allowed 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.92 142.59 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -120.13 149.12 42.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 178.53 -68.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.33 27.9 4.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.813 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -110.08 2.87 19.78 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.32 144.13 86.52 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 119.188 -0.434 . . . . 0.0 109.965 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.66 151.82 47.16 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.914 1.742 . . . . 0.0 112.387 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.15 92.31 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.269 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.97 62.12 12.81 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.479 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.66 149.87 80.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.303 2.002 . . . . 0.0 112.39 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -126.52 84.51 62.25 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.736 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.8 144.48 98.34 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 122.493 2.128 . . . . 0.0 112.753 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -74.93 153.83 38.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.4 mp -100.1 158.69 31.57 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.06 148.75 75.57 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.23 1.953 . . . . 0.0 112.269 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.18 161.71 44.96 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.29 1.993 . . . . 0.0 112.284 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.7 146.85 43.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 53.75 179.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.3 m -128.01 127.37 43.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.969 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.07 157.53 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.438 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.48 106.38 0.31 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -112.33 103.33 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' ILE . 16.8 tt -89.81 84.69 2.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 109.913 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.93 169.59 17.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.966 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.69 105.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -140.62 128.84 22.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.407 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 52.68 75.88 0.59 Allowed Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.78 157.3 60.82 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.294 1.996 . . . . 0.0 112.179 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.11 147.59 74.6 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.101 1.867 . . . . 0.0 112.051 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -151.99 -62.91 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.116 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.9 158.77 45.94 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.982 1.788 . . . . 0.0 111.71 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.51 131.49 37.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -163.29 141.32 7.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.224 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -141.53 72.74 25.22 Favored Pre-proline 0 CA--C 1.548 0.893 0 O-C-N 123.183 0.302 . . . . 0.0 110.786 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.33 149.72 51.38 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.124 1.883 . . . . 0.0 111.7 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.97 145.14 20.65 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.363 0.414 . . . . 0.0 111.251 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -134.75 146.72 49.65 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.882 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.2 m -110.25 103.2 53.39 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.4 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.05 149.47 84.34 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.166 1.911 . . . . 0.0 111.808 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.74 153.36 69.1 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.101 1.868 . . . . 0.0 111.786 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.27 148.03 67.36 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.016 1.811 . . . . 0.0 112.221 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.63 -48.6 0.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -169.1 160.13 7.82 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.132 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.75 74.85 4.23 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.237 1.958 . . . . 0.0 112.042 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.9 122.58 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.648 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -145.64 126.67 14.6 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.83 163.48 12.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -64.44 96.74 0.17 Allowed 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -125.71 103.2 7.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.96 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mp0 -96.19 -46.55 6.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.293 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.2 132.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.409 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.74 91.54 3.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -154.85 138.88 16.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.354 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -144.92 46.3 1.35 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.232 0.539 . . . . 0.0 110.586 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 14' ' ' LEU . 74.8 mt -66.57 118.85 10.75 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.25 -33.28 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.376 0.422 . . . . 0.0 110.961 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.78 -127.86 9.14 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.95 167.03 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.665 0.269 . . . . 0.0 110.681 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.9 p -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.61 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.44 -64.38 0.88 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.24 30.69 1.51 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.1 t -165.73 -179.36 5.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.695 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.2 138.8 42.26 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -138.87 -32.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.57 0.544 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 63.73 66.53 0.67 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.438 0.637 . . . . 0.0 110.38 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.4 p -157.76 158.54 35.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.953 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.17 142.94 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.352 0.408 . . . . 0.0 110.88 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -108.25 132.21 53.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -168.38 164.35 37.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -155.42 165.4 36.72 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.691 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.16 146.65 52.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.368 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -143.51 149.41 37.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.2 m -125.73 122.2 35.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.4 90.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.26 122.45 16.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -120.41 151.79 38.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.9 ttm -126.21 84.93 60.74 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.93 160.3 43.42 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.39 2.06 . . . . 0.0 112.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.24 -41.24 92.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.918 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.56 103.49 7.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.627 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.28 136.72 28.63 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 17.4 tp -146.29 -47.72 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.508 -0.346 . . . . 0.0 110.559 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.78 93.33 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.62 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -110.46 118.72 37.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.42 147.64 47.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.611 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -65.83 -21.33 66.47 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.74 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -65.54 138.39 58.03 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -156.69 163.87 38.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.782 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.406 ' O ' HD11 ' A' ' 75' ' ' ILE . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 32' ' ' ALA . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 85.14 1.28 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -60.63 -46.96 88.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.413 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.85 153.25 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 111.701 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.07 -10.48 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.399 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.0 t -65.63 142.2 58.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -45.35 145.11 1.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.08 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.88 52.85 1.55 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -66.95 -40.37 87.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.837 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.43 148.21 98.71 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-O 119.154 -0.451 . . . . 0.0 110.131 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.8 139.33 88.65 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.944 1.763 . . . . 0.0 112.354 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.44 145.92 50.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' H ' ' HD2' ' A' ' 30' ' ' PRO . 16.4 mt-10 -155.27 -60.69 0.02 OUTLIER Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' H ' ' A' ' 29' ' ' GLU . 81.6 Cg_endo -75.34 146.78 31.86 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 121.4 1.4 . . . . 0.0 112.376 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.88 20.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' HD12 ' A' ' 17' ' ' ILE . . . -151.57 72.53 1.04 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.258 0.551 . . . . 0.0 110.565 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -149.43 141.35 23.77 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.43 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.18 134.52 31.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.97 158.84 72.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.923 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.33 149.72 71.88 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.355 2.037 . . . . 0.0 111.852 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.67 151.81 74.65 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.004 1.803 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.42 154.85 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.188 1.925 . . . . 0.0 112.428 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.99 157.31 58.35 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.134 1.889 . . . . 0.0 112.039 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.17 149.65 70.91 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.159 1.906 . . . . 0.0 112.103 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -65.89 126.35 91.62 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.35 96.64 Favored 'Trans proline' 0 N--CA 1.505 2.148 0 C-N-CA 121.861 1.707 . . . . 0.0 111.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.4 156.16 67.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.57 -28.16 69.87 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 121.928 1.752 . . . . 0.0 112.18 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.9 150.5 90.51 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.304 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.95 147.51 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.009 1.806 . . . . 0.0 111.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.6 -46.79 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.832 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.3 p -155.2 165.04 37.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -129.19 -34.6 1.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.92 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.23 169.94 0.24 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -88.69 -43.94 10.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.59 150.01 32.55 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 90' ' ' THR . 12.2 p -130.14 145.03 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -139.57 84.12 1.97 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.246 0.546 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.05 -39.86 95.02 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.22 137.37 37.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.4 p -108.64 19.41 19.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.579 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 148.32 98.27 Favored Pre-proline 0 C--O 1.236 0.393 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.37 -24.72 36.71 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.74 1.626 . . . . 0.0 113.006 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.79 156.18 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB3' ' HD3' ' A' ' 62' ' ' PRO . . . -174.6 -58.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.108 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 68.9 Cg_endo -71.42 150.79 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.026 1.817 . . . . 0.0 112.566 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.53 150.39 91.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.101 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -59.76 87.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.84 1.693 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.79 -38.24 83.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.233 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.13 -54.24 57.72 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.545 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 157.94 54.4 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.012 1.808 . . . . 0.0 112.266 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.06 157.08 60.98 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.254 1.969 . . . . 0.0 111.706 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.44 107.27 19.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.285 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -74.46 140.76 44.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.539 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 74' ' ' ASP . 5.4 m 71.17 96.42 0.07 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.34 -40.11 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.999 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.44 95.56 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 71' ' ' THR . 21.2 t0 59.32 62.59 1.76 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.613 0.72 . . . . 0.0 109.175 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 107' ' ' LEU . 20.2 tt -57.65 -36.32 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.043 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -158.22 165.2 35.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.777 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.4 129.82 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.671 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -144.15 117.7 9.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.65 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.5 m -128.26 153.18 78.84 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.121 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.26 166.01 31.1 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.538 2.159 . . . . 0.0 112.146 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -50.7 -36.34 50.66 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.149 1.9 . . . . 0.0 111.739 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 51.87 62.28 11.05 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.14 -21.26 42.66 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 122.247 1.965 . . . . 0.0 112.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -138.86 135.06 34.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.8 m -151.62 133.88 15.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.749 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -71.03 149.87 94.81 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.123 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 139.24 87.81 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.043 1.828 . . . . 0.0 112.213 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.21 142.67 30.13 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.316 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -63.38 -42.95 98.85 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.364 0.415 . . . . 0.0 110.476 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' VAL . 77.7 p -152.78 152.12 27.89 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.543 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.92 148.27 35.46 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.211 1.941 . . . . 0.0 111.904 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.77 141.84 27.86 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.882 1.722 . . . . 0.0 111.819 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.55 140.79 24.37 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.845 1.697 . . . . 0.0 112.13 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -166.16 149.05 7.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.646 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . . . -167.14 -55.32 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 95' ' ' ALA . 49.2 Cg_exo -57.11 126.34 21.83 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 C-N-CA 121.499 1.466 . . . . 0.0 112.269 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.67 -46.02 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -153.74 125.33 7.62 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.969 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -95.39 162.42 13.67 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.328 0.392 . . . . 0.0 110.083 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -81.28 54.41 2.28 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.599 0.714 . . . . 0.0 109.981 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.56 139.03 48.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.148 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -141.74 147.46 37.42 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.6 158.43 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.34 99.96 8.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.178 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.2 142.78 5.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.556 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -124.07 34.22 5.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 75' ' ' ILE . 85.2 mt -82.07 -176.36 6.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.88 156.23 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -84.04 168.57 45.13 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.97 99.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 178.85 3.07 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.246 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -142.35 -74.51 0.29 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.145 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.0 55.02 2.63 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.564 0.697 . . . . 0.0 110.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.1 p -69.98 162.8 27.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.73 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.9 155.91 39.06 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -165.82 60.77 0.11 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.71 -67.2 0.78 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -172.93 -62.06 0.02 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.172 0.295 . . . . 0.0 110.426 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 54.64 -178.48 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 61.68 83.03 0.16 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.622 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.36 176.42 50.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -149.72 149.18 30.19 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.665 0.269 . . . . 0.0 110.792 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 tp 60.87 112.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.8 m -122.56 -62.0 1.41 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.099 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.0 t -158.19 149.7 21.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.91 175.83 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.546 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.1 tp -174.63 62.29 0.02 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.75 126.08 42.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.446 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.8 mmm -130.32 72.91 81.73 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.146 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.17 148.47 62.45 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.112 1.875 . . . . 0.0 112.396 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.59 -24.89 62.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.2 146.03 54.98 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.91 66.48 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 134' ' ' LEU . 7.4 mp -63.01 -40.31 97.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.593 0.235 . . . . 0.0 110.382 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.77 36.26 25.97 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -130.67 107.98 9.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.53 19.41 13.31 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.698 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -93.83 133.63 37.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.6 0.238 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 159.79 38.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -65.33 -39.76 92.82 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.242 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.555 -179.698 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HA ' ' A' ' 105' ' ' GLU . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -144.64 23.46 1.59 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -78.19 -24.17 47.26 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.576 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.38 129.67 36.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.028 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.5 tt -135.85 142.18 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.962 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.4 m -160.03 98.19 1.31 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.86 -41.41 74.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 179.64 8.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.561 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.78 -40.81 7.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.68 154.86 71.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.03 62.29 8.49 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.167 1.911 . . . . 0.0 111.781 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.64 95.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -163.39 66.43 1.57 Allowed Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -59.6 140.02 91.79 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.026 1.817 . . . . 0.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.3 149.29 17.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.728 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.57 148.7 21.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.256 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -138.47 91.51 2.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.81 137.36 32.48 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.206 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.22 155.32 39.8 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.197 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.0 157.11 55.22 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.319 2.012 . . . . 0.0 111.934 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.21 153.29 66.98 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.024 1.816 . . . . 0.0 112.048 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 154.25 63.12 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.161 1.907 . . . . 0.0 112.398 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.95 157.37 58.24 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.307 2.005 . . . . 0.0 112.055 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.26 147.44 66.1 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.08 1.853 . . . . 0.0 112.08 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -126.71 102.66 25.29 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.179 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 151.25 71.45 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 121.826 1.684 . . . . 0.0 111.813 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -129.51 71.3 82.1 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.762 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.14 145.64 97.07 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.15 1.9 . . . . 0.0 111.726 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -130.34 74.62 80.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.74 154.08 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.257 1.971 . . . . 0.0 112.076 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.21 154.43 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.407 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 t -171.47 -50.77 0.02 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -65.43 -36.46 83.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.316 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -89.4 177.11 6.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.787 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 51.62 39.6 25.37 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.819 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -170.46 47.45 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.67 119.42 57.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.505 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.59 146.25 47.61 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.564 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 64.46 101.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.71 150.48 29.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.716 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -64.27 -34.31 77.82 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.211 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -80.85 151.36 70.71 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.83 -19.23 47.07 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.902 1.735 . . . . 0.0 112.769 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 tt -109.16 152.61 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.971 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.38 84.32 60.06 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.35 159.18 50.04 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.492 2.128 . . . . 0.0 111.603 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -127.9 156.62 75.68 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.28 143.52 97.12 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.208 1.939 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.47 165.1 24.29 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt 52.01 65.02 6.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.112 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.92 148.61 66.46 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 122.426 2.084 . . . . 0.0 112.384 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 161.75 44.81 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.255 1.97 . . . . 0.0 112.061 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.58 145.19 47.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.955 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -68.28 -38.94 82.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -150.83 160.03 44.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.96 158.36 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.038 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.25 125.12 31.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -166.99 157.53 11.66 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.66 -43.46 90.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -149.13 179.77 7.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.383 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.7 t -61.15 -42.58 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 t80 45.48 91.62 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t -67.27 121.82 80.26 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.12 160.74 44.87 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 121.98 1.787 . . . . 0.0 112.02 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.28 147.98 73.49 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.247 1.965 . . . . 0.0 111.741 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.14 54.52 15.94 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 -45.22 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 121.784 1.656 . . . . 0.0 111.628 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 59.91 146.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -61.93 -33.48 74.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -130.26 82.81 64.73 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.825 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.16 150.7 60.17 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.178 1.919 . . . . 0.0 112.337 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.56 -36.88 0.95 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.595 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -129.04 149.11 50.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 p -146.34 155.65 49.96 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.68 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.39 155.22 55.76 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.259 1.973 . . . . 0.0 112.261 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.75 152.29 64.07 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.135 1.89 . . . . 0.0 112.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.2 141.45 96.63 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.189 1.926 . . . . 0.0 112.57 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.54 117.36 1.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.886 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.46 65.72 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.625 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.3 163.11 12.88 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.221 1.947 . . . . 0.0 111.516 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.12 132.15 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -75.28 154.01 37.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.39 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -169.4 168.05 9.71 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.276 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 115' ' ' ALA . 44.1 ttm180 -50.73 -62.22 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.21 0.319 . . . . 0.0 111.082 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.16 143.08 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.504 0.502 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.96 -56.14 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 103' ' ' VAL . 27.3 m -51.93 121.68 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.749 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.73 142.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.244 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.3 tt0 -82.77 52.33 2.1 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.4 0.619 . . . . 0.0 109.982 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -117.45 -16.67 10.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.875 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 107' ' ' LEU . 4.3 tt 41.53 84.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 110' ' ' VAL . 35.4 m -109.52 -12.58 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.682 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.0 64.1 1.19 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 108' ' ' VAL . 50.3 t -97.92 -57.92 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.7 p -77.2 166.11 23.65 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.163 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.67 114.36 5.31 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.418 0.449 . . . . 0.0 110.569 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 100' ' ' ARG . . . -163.57 150.0 11.87 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.64 49.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.261 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB2' HH21 ' A' ' 100' ' ' ARG . . . -156.24 159.36 38.84 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.03 20.9 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.67 148.81 31.45 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -148.11 147.54 29.62 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.09 147.13 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.501 0.5 . . . . 0.0 110.789 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.8 132.09 49.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.826 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.55 47.14 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -156.9 162.4 39.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.533 0.206 . . . . 0.0 110.464 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 123' ' ' LEU . 1.3 pt? -156.02 148.83 24.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -147.02 153.14 39.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.2 t -126.17 -165.81 1.49 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 123.558 0.536 . . . . 0.0 109.825 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.89 153.57 33.3 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.48 0.181 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -140.18 125.11 18.42 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.706 179.337 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.545 ' N ' HD13 ' A' ' 127' ' ' LEU . 76.2 mt -114.1 147.25 39.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 76.9 mtm -127.62 153.88 77.67 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.76 155.57 62.38 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.247 1.965 . . . . 0.0 112.208 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -60.2 133.54 56.2 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.263 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.53 101.43 13.61 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.73 -179.47 47.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.47 101.59 0.34 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.29 131.09 42.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.024 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.94 -45.09 96.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.17 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -62.51 -40.08 95.58 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.132 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.79 138.02 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.46 0.475 . . . . 0.0 110.394 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -151.49 136.05 17.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -60.21 -48.7 80.64 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.265 0.353 . . . . 0.0 110.768 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.304 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.432 HD12 ' HG ' ' A' ' 107' ' ' LEU . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 75' ' ' ILE . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 55.79 86.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -152.32 142.93 22.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.852 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.69 131.13 66.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.755 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.5 mt -106.0 -44.34 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.694 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.2 m -57.45 -45.8 84.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.378 0.424 . . . . 0.0 111.544 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -118.29 132.18 56.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 49.63 92.44 0.02 OUTLIER 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.65 87.12 5.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.185 0.517 . . . . 0.0 110.625 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.92 155.17 84.26 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.573 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.99 144.63 78.14 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.303 2.002 . . . . 0.0 112.303 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.8 159.5 41.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -151.71 64.43 5.89 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.21 157.37 53.96 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.16 1.907 . . . . 0.0 112.368 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.2 149.97 23.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . . . -160.84 87.43 0.74 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.661 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 127.04 11.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.394 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.3 142.48 21.44 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.566 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.89 77.58 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.167 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.61 163.16 38.11 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.54 154.62 71.27 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.905 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 143.94 88.06 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.209 1.939 . . . . 0.0 112.368 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -58.88 149.15 80.44 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.207 1.938 . . . . 0.0 112.053 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.2 -23.65 72.74 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.09 1.86 . . . . 0.0 112.595 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 51.58 61.65 12.31 Favored Pre-proline 0 CA--C 1.551 0.997 0 O-C-N 123.215 0.322 . . . . 0.0 110.8 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.74 -22.38 69.59 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 122.251 1.967 . . . . 0.0 112.651 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.61 152.68 96.17 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.613 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.06 156.89 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.229 1.952 . . . . 0.0 112.271 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.65 150.55 97.77 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.614 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.48 152.38 54.4 Favored 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.237 1.958 . . . . 0.0 111.974 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.05 -29.57 37.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.315 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -60.07 141.52 55.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -86.13 79.88 8.98 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.694 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -73.63 177.91 5.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.721 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.36 -41.77 98.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.073 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -174.09 163.75 3.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -102.41 16.51 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.771 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -123.49 127.23 48.08 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -89.04 126.48 35.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.591 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.5 tp -153.44 120.51 5.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.157 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 58' ' ' ASP . 8.8 t -109.48 -48.76 3.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 57' ' ' THR . 37.3 p-10 -91.5 147.71 35.88 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.201 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.92 71.65 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.868 2.379 . . . . 0.0 112.027 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 61' ' ' ALA . 31.4 mm 61.41 163.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 60' ' ' ILE . . . -131.15 154.13 81.91 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.534 -0.27 . . . . 0.0 111.033 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.88 151.44 71.33 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.386 2.058 . . . . 0.0 112.186 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.36 155.68 90.23 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.68 149.85 55.56 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.249 1.966 . . . . 0.0 113.044 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -153.74 127.99 9.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.775 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.29 154.71 81.17 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.284 0.365 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.94 154.95 47.02 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 122.517 2.145 . . . . 0.0 112.005 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.13 146.04 50.87 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.316 2.011 . . . . 0.0 111.684 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -56.99 -48.63 77.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.743 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.85 132.75 0.55 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.246 0.341 . . . . 0.0 111.411 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 HG13 ' A' ' 72' ' ' VAL . 18.6 m -122.46 -65.11 1.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.271 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 71' ' ' THR . 35.7 m -135.97 161.37 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.771 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.97 -178.37 51.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -163.35 169.22 19.34 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 15' ' ' ALA . 87.5 mt -83.01 -49.96 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -157.81 170.61 21.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.923 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -113.29 -178.69 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.03 72.56 1.1 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.2 m -62.3 -45.23 90.11 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.01 145.3 98.08 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 121.958 1.772 . . . . 0.0 112.638 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.19 -26.14 74.93 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.444 2.096 . . . . 0.0 112.562 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 31.02 57.58 0.98 Allowed Pre-proline 0 CA--C 1.558 1.257 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.43 -42.97 3.24 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.568 1.512 . . . . 0.0 111.26 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -154.83 156.3 35.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.0 p -155.5 173.11 17.16 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -128.99 77.17 78.36 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.98 156.13 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.314 2.009 . . . . 0.0 112.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.06 147.78 52.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.048 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -53.86 133.7 42.71 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.711 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.5 m -126.39 146.74 57.47 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.31 156.94 32.81 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 122.187 1.925 . . . . 0.0 112.015 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -64.38 157.93 51.9 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.226 1.951 . . . . 0.0 111.8 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.25 -27.68 85.37 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.065 1.843 . . . . 0.0 112.564 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.84 126.81 19.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.95 0.405 . . . . 0.0 110.977 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . . . -155.91 159.48 31.52 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.623 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 130.39 40.33 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.806 1.671 . . . . 0.0 111.982 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.4 m -141.61 158.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -64.22 -41.89 96.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -133.27 156.29 47.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.774 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -43.79 -68.55 0.19 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.423 0.452 . . . . 0.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.87 44.32 7.74 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.828 0.347 . . . . 0.0 111.807 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.85 -47.63 85.48 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.535 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.95 130.91 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.55 86.81 1.76 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.932 0.396 . . . . 0.0 111.629 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.53 117.71 9.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.435 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -136.18 138.94 42.45 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 13' ' ' ILE . 4.2 tt -123.2 -44.56 2.15 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.128 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 32' ' ' ALA . 11.5 p -121.37 125.71 74.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.783 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.18 177.43 49.87 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 157.32 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -129.93 147.38 51.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.06 149.23 33.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.08 154.12 35.3 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.1 t -147.32 144.15 28.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.647 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.16 149.19 25.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.795 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.92 103.23 3.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.553 0.533 . . . . 0.0 109.991 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.39 143.15 26.66 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.2 p -125.14 10.8 8.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.954 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.35 140.5 43.09 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -161.67 157.65 24.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.6 173.52 24.48 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -60.92 -46.47 90.53 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -157.62 116.63 3.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -165.32 16.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.511 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.1 t 177.25 -70.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.903 0.127 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -171.72 175.81 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.598 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -139.69 137.16 34.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.189 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 127' ' ' LEU . 7.0 mp -122.15 138.25 54.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -72.97 155.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.221 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.89 140.29 78.73 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.161 1.907 . . . . 0.0 111.777 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -117.56 131.43 56.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.146 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -103.06 31.19 4.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.129 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.39 80.57 1.8 Allowed Glycine 0 C--N 1.336 0.551 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.92 152.73 32.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.251 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.8 133.9 45.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -79.29 -56.62 4.21 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -162.86 150.89 13.86 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.865 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -115.45 135.74 53.8 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.574 0.546 . . . . 0.0 110.501 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -109.37 119.53 39.74 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.216 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -95.52 108.25 20.48 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.222 -0.356 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.635 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.551 HG12 HD12 ' A' ' 107' ' ' LEU . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 75' ' ' ILE . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HB3' HG12 ' A' ' 108' ' ' VAL . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 107' ' ' LEU . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -45.49 139.44 3.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -157.04 137.65 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 pt -109.9 -16.72 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.715 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 21' ' ' ILE . 71.4 mt 49.49 65.58 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 121.128 0.489 . . . . 0.0 110.406 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.6 p -138.55 17.64 2.72 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.487 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 48.94 24.65 0.89 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -84.3 73.18 10.49 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.227 0.537 . . . . 0.0 110.524 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -90.27 84.65 6.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.72 157.85 83.55 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.53 -26.3 76.08 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.004 1.803 . . . . 0.0 111.872 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.01 149.79 29.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.146 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -157.72 57.78 1.32 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.31 148.79 44.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.02 1.814 . . . . 0.0 112.301 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.67 128.01 32.21 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.37 153.72 27.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -128.57 144.04 51.08 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.557 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.25 97.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 123.25 0.344 . . . . 0.0 110.669 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.84 61.68 13.35 Favored Pre-proline 0 CA--C 1.553 1.094 0 O-C-N 123.308 0.38 . . . . 0.0 110.84 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.0 136.53 41.46 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.797 1.665 . . . . 0.0 112.342 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.64 161.73 19.15 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.454 2.102 . . . . 0.0 112.479 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.58 158.85 54.69 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.081 1.854 . . . . 0.0 111.307 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.88 109.4 0.59 Allowed 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.952 1.768 . . . . 0.0 112.014 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.48 159.02 32.6 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.217 1.945 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.45 156.87 91.0 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.059 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 141.81 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.816 1.678 . . . . 0.0 112.224 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -161.37 157.58 21.92 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.375 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.01 146.77 59.6 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.857 1.705 . . . . 0.0 111.546 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.16 157.07 30.29 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.988 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -71.8 154.58 58.83 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.161 1.907 . . . . 0.0 111.752 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.64 -9.74 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.986 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -125.49 147.23 49.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -173.93 76.31 0.03 OUTLIER 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.59 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -80.18 177.36 9.01 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.05 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.0 -63.08 1.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -173.99 50.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.511 0.672 . . . . 0.0 109.544 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.56 139.15 32.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.492 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.13 142.76 24.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.78 -40.58 95.68 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.332 0.395 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.66 -164.46 0.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -108.32 126.05 52.4 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -80.61 156.9 72.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.261 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -72.17 153.26 56.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.886 1.724 . . . . 0.0 112.148 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.23 135.16 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.85 153.37 77.12 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.91 147.58 55.74 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.155 1.903 . . . . 0.0 112.081 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -144.41 70.37 15.78 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.467 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -67.85 -35.77 20.22 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.902 1.734 . . . . 0.0 112.418 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 42.74 41.68 2.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.51 82.47 56.99 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.25 153.11 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.156 1.904 . . . . 0.0 111.3 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.79 -49.39 5.38 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.649 1.566 . . . . 0.0 112.095 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.6 tp -172.75 107.01 0.17 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.302 0.376 . . . . 0.0 111.19 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.7 136.83 50.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.294 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 t -150.39 155.77 40.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.252 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -139.08 146.79 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.0 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.59 179.82 34.91 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.45 158.88 21.53 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 15' ' ' ALA . 40.8 pt -139.63 -7.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.22 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.41 146.49 51.25 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.709 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 78' ' ' TYR . 61.0 t -85.14 -48.23 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CE1' HG12 ' A' ' 77' ' ' VAL . 99.0 m-85 -123.93 138.35 54.49 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.709 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -134.88 72.11 68.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.556 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.76 151.15 51.28 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.076 1.851 . . . . 0.0 112.034 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -27.68 52.07 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.979 1.786 . . . . 0.0 112.194 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.66 151.7 78.5 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.662 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.75 72.87 6.07 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.329 2.019 . . . . 0.0 112.192 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -103.37 14.61 31.09 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.572 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -123.78 156.49 35.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.635 0.255 . . . . 0.0 110.632 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -121.11 92.85 48.73 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.843 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.92 155.94 57.07 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.178 1.919 . . . . 0.0 112.323 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.6 133.43 38.26 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -131.41 143.6 50.57 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.491 0.494 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 t -75.59 143.22 75.2 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.55 142.16 60.68 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 121.91 1.74 . . . . 0.0 111.623 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -55.17 139.34 80.55 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.059 1.84 . . . . 0.0 112.46 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.98 155.93 47.8 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.138 1.892 . . . . 0.0 111.869 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.92 133.11 34.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -168.91 80.3 0.72 Allowed Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.125 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.11 138.64 87.18 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.243 1.962 . . . . 0.0 112.007 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.02 146.0 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.82 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -170.71 -47.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.36 -49.11 75.16 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.65 -40.8 72.83 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 76.99 0.12 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.425 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 76.3 125.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.95 152.53 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.086 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.9 61.86 1.84 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.034 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.9 -39.07 80.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -57.57 94.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.572 0.545 . . . . 0.0 109.877 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -50.27 -20.27 1.01 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.474 -178.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG12 ' HB3' ' A' ' 16' ' ' SER . 13.5 p -123.32 142.03 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.37 163.46 30.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.4 t 62.13 149.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -155.94 159.14 39.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.59 154.1 33.61 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.692 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.63 -71.28 0.16 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.56 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 63.9 m -137.76 140.0 40.38 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.267 0.354 . . . . 0.0 110.649 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.43 149.17 25.31 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.93 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.45 -28.75 1.0 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.57 -45.75 81.13 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.32 0.387 . . . . 0.0 110.726 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 148.62 16.17 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.95 151.26 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.491 0.494 . . . . 0.0 110.991 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -66.28 -20.48 66.11 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.36 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.6 174.35 41.34 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.9 m -126.33 148.42 49.56 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.09 108.13 20.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.469 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.6 m -147.54 35.69 0.87 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.936 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 t -136.54 148.84 47.8 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.518 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.14 149.65 36.84 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.336 0.397 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.6 tp -147.05 126.08 12.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.926 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.64 136.99 33.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.8 ptm -72.43 156.88 89.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.14 154.68 62.06 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.268 1.979 . . . . 0.0 112.024 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.51 129.92 43.99 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.429 0.456 . . . . 0.0 110.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -127.35 111.97 14.5 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.528 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -90.64 -135.22 6.13 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 58.5 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.46 157.76 13.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -63.03 -39.73 95.61 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -63.09 138.63 58.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.5 0.5 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -156.09 164.66 38.14 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -155.67 164.28 38.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -150.95 139.56 20.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.561 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 17' ' ' ILE . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG23 ' SD ' ' A' ' 1' ' ' MET . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' A' ' 1' ' ' MET . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 50.41 175.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 HH12 ' HB3' ' A' ' 104' ' ' ALA . 84.3 mtt85 -67.29 -41.61 85.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.692 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.27 140.44 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.549 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.31 -20.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m 60.15 51.72 5.49 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.48 0.657 . . . . 0.0 109.984 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -57.8 157.24 7.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.856 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 61.9 38.67 14.33 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -110.73 73.33 0.82 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.002 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 149.43 93.74 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.673 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.98 149.86 59.83 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.104 1.87 . . . . 0.0 112.048 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.52 -1.89 58.18 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.333 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.3 58.18 6.3 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.58 152.95 70.33 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.926 1.75 . . . . 0.0 112.286 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.42 154.02 24.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.544 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.57 134.13 28.39 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -178.15 127.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.362 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.58 128.81 35.58 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 159.97 54.85 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.208 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.64 150.9 66.81 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.211 1.941 . . . . 0.0 111.747 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.53 151.08 80.21 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.039 1.826 . . . . 0.0 112.295 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -71.72 156.05 57.77 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.38 2.053 . . . . 0.0 112.625 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.43 160.64 48.0 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.58 155.5 68.76 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.134 1.89 . . . . 0.0 112.087 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.76 159.67 82.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.075 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -57.88 145.58 90.27 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 122.257 1.971 . . . . 0.0 112.062 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -127.11 153.01 76.66 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.38 147.71 59.49 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.007 1.805 . . . . 0.0 112.266 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.58 71.7 82.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.951 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.24 148.19 61.43 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.112 1.875 . . . . 0.0 112.344 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.03 158.44 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.412 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -125.75 142.65 51.41 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -66.01 -38.53 88.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.61 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -86.78 170.44 11.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.1 -53.46 58.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.305 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -176.86 125.02 0.15 Allowed 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -129.53 159.08 41.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.265 0.353 . . . . 0.0 111.098 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 4.1 mm? -107.05 120.21 41.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -167.11 127.16 1.48 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.72 92.28 2.95 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.195 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.1 m -63.1 -45.96 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.003 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -91.86 114.01 60.66 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.894 -0.574 . . . . 0.0 110.444 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.83 155.64 53.43 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.976 1.784 . . . . 0.0 111.686 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.92 153.64 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.743 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.96 153.18 51.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.8 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.31 158.28 51.91 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 122.204 1.936 . . . . 0.0 111.923 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -128.55 71.13 80.47 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.31 157.8 52.81 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.301 2.001 . . . . 0.0 112.227 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -72.59 144.73 47.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.915 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.0 mt -80.85 148.18 64.18 Favored Pre-proline 0 CA--C 1.538 0.513 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.06 154.86 47.59 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.213 1.942 . . . . 0.0 112.199 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.17 -20.84 56.07 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.245 1.963 . . . . 0.0 112.372 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -120.47 122.4 40.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.065 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -123.66 -63.09 1.25 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -161.56 177.15 10.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.506 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.02 142.84 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.3 169.03 44.43 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.75 173.57 8.28 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.571 0.224 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 tt -98.66 42.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.283 0.563 . . . . 0.0 109.923 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -95.45 -70.21 0.72 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.02 12.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -122.76 -56.32 1.77 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.652 0.263 . . . . 0.0 110.608 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 54.48 53.45 10.0 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.054 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.22 153.83 46.16 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.154 1.903 . . . . 0.0 111.795 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.43 138.61 33.01 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.878 1.718 . . . . 0.0 112.514 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -170.33 131.24 0.92 Allowed Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 146.22 97.42 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.074 1.849 . . . . 0.0 111.03 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.26 -42.9 99.21 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.339 0.4 . . . . 0.0 110.307 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.1 m 55.55 32.31 18.85 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.576 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 48.71 72.95 1.09 Allowed Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.827 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.12 143.97 36.81 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.042 1.828 . . . . 0.0 112.683 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.68 149.85 27.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 53.86 36.3 23.79 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.211 0.529 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.0 p -76.14 157.28 83.35 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.898 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.82 165.98 31.26 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.501 2.134 . . . . 0.0 112.316 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.46 145.38 68.82 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.179 1.919 . . . . 0.0 111.831 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -76.79 70.0 6.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.217 1.945 . . . . 0.0 112.643 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.66 124.46 23.96 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.073 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.7 160.01 55.64 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.33 164.58 34.58 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.547 2.165 . . . . 0.0 112.329 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.9 t 80.91 83.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.227 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -139.43 123.05 17.4 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.876 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -133.98 -64.26 0.7 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.136 0.273 . . . . 0.0 111.156 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -105.65 -79.26 0.56 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.16 0.288 . . . . 0.0 110.321 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 49.12 51.91 15.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.25 -42.24 65.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.645 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.71 -39.54 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.787 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB3' HH12 ' A' ' 19' ' ' ARG . . . 54.7 75.34 0.3 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.302 0.572 . . . . 0.0 110.348 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.06 -44.53 83.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.834 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -28.1 132.86 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.71 -53.51 39.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.404 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.05 152.3 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.41 152.98 29.05 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.0 m -139.55 143.9 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.964 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -166.5 111.23 0.79 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.08 157.18 23.03 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.6 42.75 20.13 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.195 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -90.18 8.35 33.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.095 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.24 27.69 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.63 56.36 0.8 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.203 0.525 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.22 139.98 53.97 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.718 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -119.07 30.87 6.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.002 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.1 144.74 11.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -56.88 -178.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.988 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.2 140.88 5.89 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -159.28 141.83 13.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.836 -0.182 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -119.35 123.16 43.5 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.457 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 m -154.14 48.55 0.62 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.4 m -140.92 136.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.609 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.97 148.45 29.8 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.377 0.423 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 128' ' ' LEU . 3.4 tt -138.44 135.26 35.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 127' ' ' LEU . 8.2 mp -59.66 130.42 46.73 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.11 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 78.4 mtm -72.69 149.92 90.78 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -67.91 -19.54 46.2 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 122.172 1.914 . . . . 0.0 112.551 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.68 -38.59 88.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.335 0.397 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 54.28 -167.84 0.07 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.471 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -76.57 65.0 2.86 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.69 155.62 32.06 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 54.06 47.07 24.14 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 110.266 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -67.6 -15.15 63.51 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.94 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.61 144.32 55.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.517 0.198 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -134.93 30.75 3.34 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.7 146.67 49.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 56.48 38.02 29.31 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.16 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 107' ' ' LEU . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -52.45 -67.69 0.23 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -136.46 146.72 46.66 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.55 0.214 . . . . 0.0 110.611 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 HD11 ' OD2' ' A' ' 25' ' ' ASP . 6.7 tp -146.77 122.89 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.4 -45.8 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.4 p -157.42 163.43 38.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.626 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -84.81 85.0 7.5 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -168.76 17.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.886 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 20' ' ' ILE . 68.7 m-20 -102.68 20.97 16.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.38 113.59 42.86 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.995 -0.526 . . . . 0.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.22 145.26 98.79 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.251 1.967 . . . . 0.0 112.11 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 141.34 58.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.678 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -162.41 63.5 1.46 Allowed Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.37 142.71 45.89 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.749 1.633 . . . . 0.0 111.51 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.53 156.98 21.58 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.28 -39.98 0.66 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.496 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 50.12 59.63 4.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.322 0.582 . . . . 0.0 110.551 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.58 146.15 20.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.064 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.58 88.88 52.54 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.057 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.96 143.95 90.74 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.081 1.854 . . . . 0.0 112.084 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.37 150.79 65.28 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.133 1.889 . . . . 0.0 111.834 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 146.98 59.9 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.057 1.838 . . . . 0.0 111.559 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.71 143.23 70.79 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.143 1.895 . . . . 0.0 112.099 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.32 159.87 50.46 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.208 1.938 . . . . 0.0 112.397 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 153.11 96.2 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.508 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.55 -25.15 75.5 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.21 1.94 . . . . 0.0 112.341 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -129.79 151.12 77.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.168 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.2 149.6 58.03 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.062 1.841 . . . . 0.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.87 -61.28 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.3 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.85 147.9 50.92 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.936 1.757 . . . . 0.0 112.134 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.69 -50.57 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.2 m -72.3 150.96 43.09 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.07 142.57 51.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.056 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -117.91 110.11 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -163.8 156.08 17.43 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -140.93 35.91 1.76 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.39 120.68 49.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.215 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.83 5.51 13.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.944 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 55.23 48.09 20.14 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.416 0.627 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.97 146.04 53.95 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.63 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.3 m -115.04 129.09 56.62 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.755 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -91.37 154.6 44.54 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.035 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 148.0 85.24 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.829 1.686 . . . . 0.0 111.814 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.59 -44.86 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 74.31 76.35 Favored Pre-proline 0 CA--C 1.549 0.932 0 O-C-N 123.335 0.397 . . . . 0.0 110.623 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.29 139.31 89.38 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 122.124 1.883 . . . . 0.0 111.861 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -150.18 68.32 8.65 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.97 145.37 39.87 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.943 1.762 . . . . 0.0 111.946 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -143.08 105.44 4.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 66' ' ' LEU . 8.1 mp -67.92 -49.73 35.69 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.792 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 171.48 16.07 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 121.972 1.781 . . . . 0.0 112.879 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.89 -175.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.738 2.292 . . . . 0.0 113.075 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 145.64 51.7 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.05 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.83 155.8 18.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -148.09 155.5 41.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t 57.13 96.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.879 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.01 92.05 0.08 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -142.59 144.43 32.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 107' ' ' LEU . 19.0 tt -72.19 -34.57 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.96 127.19 39.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -110.04 173.37 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.845 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.39 154.75 33.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.182 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 m -63.91 148.46 94.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.34 154.19 61.2 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.23 1.953 . . . . 0.0 112.673 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.68 159.5 50.76 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.344 2.029 . . . . 0.0 112.16 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -122.35 96.43 46.11 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 123.593 0.558 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.12 151.48 61.35 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.086 1.857 . . . . 0.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 58.62 112.73 0.01 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.6 p -162.16 147.66 12.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -131.17 68.99 82.25 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.252 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.04 145.83 45.55 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.055 1.836 . . . . 0.0 112.209 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.47 141.76 48.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 66.58 -70.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.821 0.701 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.5 p -150.33 158.45 36.18 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.321 -0.371 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.23 141.89 96.97 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.084 1.856 . . . . 0.0 111.778 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.84 151.03 56.6 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.952 1.768 . . . . 0.0 112.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.26 150.59 59.36 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.197 1.931 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.19 -63.81 0.55 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.229 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.66 3.84 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 123.321 0.388 . . . . 0.0 111.025 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.81 147.95 86.03 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.242 1.961 . . . . 0.0 111.635 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.47 160.02 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.16 134.79 46.81 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.26 107.51 19.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.901 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 46.51 63.49 1.87 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.121 0.486 . . . . 0.0 111.093 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -80.51 120.61 24.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -69.96 98.62 1.3 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.54 139.8 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.671 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -148.76 172.36 14.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.681 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 75.78 84.69 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.155 0.502 . . . . 0.0 111.213 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.72 117.79 8.66 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.09 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 14' ' ' LEU . 55.4 tp -76.75 -45.11 30.39 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.431 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.09 157.65 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.036 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.62 67.59 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -118.49 123.89 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -157.62 163.27 38.45 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 65.14 169.41 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.85 154.09 27.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.732 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.4 t -149.14 142.42 25.11 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.54 31.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.569 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 148.44 19.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.82 147.36 46.53 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -143.04 139.64 30.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.75 -173.15 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.818 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.84 143.12 40.81 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.36 0.413 . . . . 0.0 110.055 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.65 155.61 27.03 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 m -103.66 -22.01 13.64 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.94 166.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.472 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.9 p -102.8 -26.47 13.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t 65.58 84.93 0.15 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 144.74 46.26 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.927 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -147.69 142.59 26.88 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.671 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.55 50.34 1.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.154 0.502 . . . . 0.0 110.712 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.9 mtt 59.13 160.4 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.9 156.75 62.2 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 122.041 1.827 . . . . 0.0 112.174 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -88.19 1.51 54.26 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.256 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 46.77 52.13 11.67 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.894 0.378 . . . . 0.0 111.305 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.1 37.32 3.28 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 134' ' ' LEU . 8.1 mp -100.59 11.13 40.15 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.92 -39.73 93.03 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 120.494 0.188 . . . . 0.0 110.914 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -110.89 124.15 51.52 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.597 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -141.11 95.24 2.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -143.25 151.93 41.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 55.4 39.99 31.28 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.024 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.01 118.08 35.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.27 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.267 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 11' ' ' GLU . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 9' ' ' THR . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 60.14 -164.89 0.22 Allowed 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 52.73 89.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.51 -31.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.105 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 104' ' ' ALA . 16.2 pt -67.66 103.82 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.392 0.615 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -154.24 129.31 9.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.002 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.08 149.36 21.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.991 0.425 . . . . 0.0 112.035 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 74.89 -49.86 0.66 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.13 -40.87 74.58 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.304 0.378 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.37 144.86 96.97 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 -15.17 30.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.197 1.931 . . . . 0.0 112.893 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.6 30.16 16.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 0.0 110.711 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -155.42 67.41 5.0 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -54.63 139.1 76.34 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.246 1.964 . . . . 0.0 112.664 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.29 94.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.64 83.22 0.16 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.246 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -134.51 163.08 30.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.009 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.04 127.3 42.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.655 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.52 86.01 11.24 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.808 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.27 146.65 63.91 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.925 1.75 . . . . 0.0 112.616 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.59 163.76 31.38 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.97 157.07 63.3 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.225 1.95 . . . . 0.0 111.55 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.96 148.03 75.33 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.928 1.752 . . . . 0.0 112.363 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.82 158.88 46.11 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.339 2.026 . . . . 0.0 112.4 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -128.85 72.86 81.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.895 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.8 156.22 61.04 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.466 2.111 . . . . 0.0 112.748 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.78 157.57 89.93 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.452 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -37.92 68.28 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.108 1.872 . . . . 0.0 112.225 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 50.05 63.22 10.46 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.32 -23.57 75.31 Favored 'Trans proline' 0 N--CA 1.504 2.1 0 C-N-CA 122.065 1.843 . . . . 0.0 112.544 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.13 129.65 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -62.07 143.18 57.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -90.66 -28.79 18.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.305 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -78.83 178.07 8.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' OD2' HG13 ' A' ' 53' ' ' VAL . 13.8 t0 -164.78 179.25 6.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.046 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -116.67 6.28 13.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.491 HG13 ' OD2' ' A' ' 51' ' ' ASP . 27.6 m -73.43 -34.51 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 123.077 0.236 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -122.34 144.33 49.08 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -108.38 24.49 12.95 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.323 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.05 -40.15 94.79 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.065 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -152.6 148.79 27.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -85.58 156.7 58.87 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.975 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.33 -21.93 30.15 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.799 1.666 . . . . 0.0 112.738 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.65 -45.44 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.62 57.77 14.98 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.2 -19.51 44.5 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.375 2.05 . . . . 0.0 112.822 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.17 160.74 79.62 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.062 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.61 139.45 82.88 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.272 1.982 . . . . 0.0 112.302 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -95.0 134.18 37.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.495 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.23 154.07 78.84 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.872 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -53.95 130.24 38.31 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.861 1.708 . . . . 0.0 111.978 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.49 -38.6 89.21 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.127 1.885 . . . . 0.0 112.528 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.31 175.17 5.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 66.92 29.91 7.97 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.205 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p 58.12 144.76 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.422 0.63 . . . . 0.0 111.839 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.57 -24.65 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 -130.24 28.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 65.92 71.36 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.569 0.7 . . . . 0.0 109.205 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 107' ' ' LEU . 7.0 tp -58.19 -36.73 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.892 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -164.14 147.4 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.115 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' SER . 30.5 m -101.93 -178.71 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.065 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -60.61 -38.3 84.26 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.359 0.412 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 77' ' ' VAL . 89.6 p -154.19 156.32 31.74 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.268 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.0 149.81 59.59 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.031 1.82 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.48 50.6 3.28 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.276 1.984 . . . . 0.0 111.877 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -172.84 79.56 0.42 Allowed Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.76 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.83 133.03 55.62 Favored 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.969 1.779 . . . . 0.0 112.275 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -91.79 149.19 21.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.6 t -79.47 -56.01 4.63 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.769 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -130.54 71.64 82.23 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.31 152.06 60.8 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.168 1.912 . . . . 0.0 111.859 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.78 147.31 32.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.509 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -151.03 136.06 17.46 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.133 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -146.07 158.15 48.88 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 119.589 -0.244 . . . . 0.0 111.474 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.12 157.03 41.49 Favored 'Trans proline' 0 N--CA 1.504 2.133 0 C-N-CA 122.589 2.193 . . . . 0.0 112.266 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 145.77 58.76 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.179 1.919 . . . . 0.0 111.446 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.28 -32.2 82.01 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 121.858 1.705 . . . . 0.0 113.243 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -168.26 146.97 4.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 111.94 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.2 65.67 10.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.366 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.44 -41.45 76.06 Favored 'Trans proline' 0 N--CA 1.505 2.185 0 C-N-CA 122.326 2.017 . . . . 0.0 113.351 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' PHE . 14.9 p -168.83 161.49 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.201 0.313 . . . . 0.0 110.855 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' VAL . 54.1 p90 -144.4 157.95 44.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.223 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -179.15 -29.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.937 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -57.46 -40.11 77.79 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.03 128.88 37.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.6 31.39 4.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.69 148.39 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . -118.93 124.48 47.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -168.92 131.83 1.33 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.1 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -141.18 30.31 1.79 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 75' ' ' ILE . 4.6 tp 60.02 172.57 0.09 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.54 157.41 42.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.74 -21.57 45.2 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.655 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.19 -28.63 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.94 121.46 37.72 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.095 0.247 . . . . 0.0 110.675 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -160.57 152.56 20.09 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.31 3.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.0 m 50.27 31.77 5.55 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.246 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.13 158.29 38.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.38 -50.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.37 148.64 30.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.28 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -107.83 23.46 14.44 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.74 143.96 56.62 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -134.81 107.56 7.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.222 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 58.13 -143.09 43.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -171.67 100.84 0.18 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt 49.09 42.89 21.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.4 p -133.59 31.49 3.69 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.534 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.421 ' O ' HD13 ' A' ' 128' ' ' LEU . 66.0 m -108.06 125.45 51.58 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -99.64 -177.79 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.623 0.577 . . . . 0.0 111.101 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.6 mt 58.7 49.68 9.87 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.292 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 125' ' ' SER . 6.6 mp -96.54 37.1 1.3 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.184 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.09 149.57 98.09 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.82 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.59 160.44 46.54 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.363 2.042 . . . . 0.0 112.425 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -65.53 157.85 28.57 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.159 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.75 112.6 12.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.35 92.57 2.27 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -39.75 91.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.929 -0.135 . . . . 0.0 110.996 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.41 141.65 43.64 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.263 0.352 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -163.28 -61.03 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -106.63 105.2 15.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.752 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -101.01 -14.78 17.7 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -64.73 -39.82 94.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.547 0.213 . . . . 0.0 111.041 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 49.7 m80 55.65 37.77 29.3 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.251 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 9' ' ' THR . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 7' ' ' GLU . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.413 ' SD ' HG23 ' A' ' 75' ' ' ILE . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.02 21.85 0.84 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -137.93 130.21 29.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.682 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.7 pt -133.86 150.37 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.442 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.32 -46.32 95.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.6 p -163.36 165.8 23.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -151.38 131.76 13.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.793 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -158.84 170.23 22.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.288 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.0 72.09 10.5 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.515 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.19 142.83 66.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.922 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.83 168.78 23.93 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.457 2.105 . . . . 0.0 112.685 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.05 68.05 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.764 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.03 59.43 10.79 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.228 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.65 149.4 76.71 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.01 1.806 . . . . 0.0 112.128 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.62 135.5 7.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.27 150.52 14.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.94 52.32 14.48 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.294 0.569 . . . . 0.0 110.8 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 126.03 24.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.35 165.27 18.93 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.518 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.16 144.71 79.7 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.035 1.824 . . . . 0.0 111.597 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.64 160.0 49.43 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.115 1.876 . . . . 0.0 112.292 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -57.51 152.15 49.44 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.261 1.974 . . . . 0.0 111.68 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.89 147.66 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.958 1.772 . . . . 0.0 111.327 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.54 148.31 90.51 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.951 1.767 . . . . 0.0 112.104 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -70.08 157.51 89.65 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -50.67 -37.31 53.3 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.073 1.848 . . . . 0.0 111.853 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -98.31 118.79 63.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.098 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.78 145.45 90.24 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.993 1.795 . . . . 0.0 111.944 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -56.19 -50.03 89.84 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.338 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.22 151.82 39.01 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.808 1.672 . . . . 0.0 111.44 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.05 -44.85 95.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -169.8 -60.79 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -138.6 102.14 4.52 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.089 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -118.17 108.5 15.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.599 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.56 140.47 58.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -171.0 100.0 0.21 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.56 -31.71 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.596 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.87 -40.8 98.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 50.13 32.84 6.31 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -117.57 31.74 6.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.378 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 p -117.45 -62.65 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.163 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -91.72 156.77 42.55 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.08 142.87 99.31 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.838 1.692 . . . . 0.0 111.813 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.2 pt -107.58 -28.32 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.427 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.36 155.76 31.95 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.22 -40.15 87.26 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.1 1.867 . . . . 0.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.66 73.56 4.21 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.96 139.09 32.43 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.912 1.741 . . . . 0.0 111.986 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.71 -40.35 96.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp 178.38 -54.61 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.83 160.55 47.6 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.894 1.729 . . . . 0.0 112.541 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.02 -13.29 38.96 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.372 2.048 . . . . 0.0 112.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.07 118.75 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 0.0 110.681 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.94 170.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.19 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -154.96 152.92 30.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.58 125.91 51.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.79 156.54 14.67 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -152.98 121.46 6.33 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 107' ' ' LEU . 78.8 mt -87.31 92.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.79 146.0 33.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.006 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 78' ' ' TYR . 13.5 p -171.75 165.78 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 77' ' ' VAL . 87.8 m-85 -56.35 147.88 20.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -99.76 108.63 52.26 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 123.488 0.493 . . . . 0.0 111.384 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 151.35 76.33 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.147 1.898 . . . . 0.0 111.409 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.66 137.53 58.95 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.789 1.659 . . . . 0.0 111.664 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.4 69.32 54.41 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.387 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.06 139.81 85.67 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.015 1.81 . . . . 0.0 111.412 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -129.67 137.05 50.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.8 t -108.08 -48.95 3.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.179 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 48.92 61.04 14.78 Favored Pre-proline 0 CA--C 1.553 1.089 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.387 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.78 -33.24 87.41 Favored 'Trans proline' 0 N--CA 1.505 2.157 0 C-N-CA 122.159 1.906 . . . . 0.0 112.06 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.95 57.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.089 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HD2' HG23 ' A' ' 90' ' ' THR . 80.7 t80 -60.49 -46.9 88.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.597 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 89' ' ' TYR . 81.3 p -111.22 161.27 25.87 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.639 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.62 130.08 37.09 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.668 1.579 . . . . 0.0 111.439 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.08 158.49 26.91 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.124 1.883 . . . . 0.0 112.579 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.26 -19.84 62.28 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 C-N-CA 122.04 1.827 . . . . 0.0 111.824 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.63 158.1 43.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.83 69.2 19.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 123.263 0.352 . . . . 0.0 110.791 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.7 112.62 3.48 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.985 1.79 . . . . 0.0 112.119 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.73 154.74 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.702 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -123.18 121.54 36.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -144.72 30.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.051 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 69.86 -67.93 0.21 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.649 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 t0 56.66 179.47 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.473 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -140.89 139.86 34.44 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -143.48 144.29 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 O-C-N 123.223 0.327 . . . . 0.0 110.794 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.13 -62.39 0.11 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HG3' HD22 ' A' ' 14' ' ' LEU . 32.4 tt0 -162.55 94.96 0.9 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.573 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -147.44 131.34 17.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.009 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -95.58 150.35 20.43 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.313 0.383 . . . . 0.0 110.131 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.8 t 60.27 -96.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.642 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.84 33.93 88.36 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.59 124.0 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -121.06 174.95 6.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.689 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.68 99.6 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 45.76 73.44 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.9 t -151.31 149.72 29.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.7 -81.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -178.04 55.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 110.384 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.81 120.13 28.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 t -179.46 80.34 0.01 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.767 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.44 127.63 35.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.098 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -62.0 155.28 24.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.205 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.28 25.73 11.91 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.363 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -150.2 144.95 25.96 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 124' ' ' SER . 2.9 pp -67.16 -45.83 75.85 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.276 0.36 . . . . 0.0 110.752 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -172.48 -68.65 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.135 0.272 . . . . 0.0 111.427 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.8 t -154.32 155.46 35.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.183 0.302 . . . . 0.0 110.635 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -146.47 -82.9 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.6 mt 57.7 73.84 0.45 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.725 0.774 . . . . 0.0 110.348 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.61 -39.76 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.92 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.94 155.18 38.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.81 -174.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.299 2.0 . . . . 0.0 111.756 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.45 147.69 25.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.8 91.55 8.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.108 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.26 -41.03 98.43 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.35 140.29 43.22 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.85 109.25 19.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.328 0.392 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.1 -38.78 75.74 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.894 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -109.8 114.43 28.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.043 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -150.02 127.85 11.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -139.98 155.77 46.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.567 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -65.63 -20.94 66.51 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.776 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.123 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 107' ' ' LEU . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.37 -129.34 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp-105 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 119.026 0.83 . . . . 0.0 110.201 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.5 pt -68.28 -32.25 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.633 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt 41.76 96.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 123.463 0.477 . . . . 0.0 111.301 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.2 m -134.72 -73.59 0.47 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.105 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 49.08 29.5 2.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -50.39 74.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.101 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -112.72 84.76 2.04 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.378 0.424 . . . . 0.0 110.832 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.4 151.22 53.19 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.93 72.15 5.44 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.376 2.051 . . . . 0.0 112.226 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.03 105.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 178.91 -56.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.88 171.06 15.94 Favored 'Trans proline' 0 N--CA 1.486 1.034 0 C-N-CA 121.991 1.794 . . . . 0.0 112.548 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.74 92.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.132 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.58 66.61 1.17 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.772 0.796 . . . . 0.0 110.818 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.67 143.4 49.36 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.13 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.2 49.84 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.381 0.426 . . . . 0.0 110.336 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.7 159.81 71.03 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.02 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.33 158.36 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.07 147.93 72.14 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.331 2.021 . . . . 0.0 112.14 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.3 156.61 64.06 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.129 1.886 . . . . 0.0 112.092 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.86 153.07 73.46 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.217 1.945 . . . . 0.0 112.078 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.36 154.65 65.2 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.212 1.941 . . . . 0.0 112.296 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.16 156.4 80.2 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.393 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.17 148.84 63.32 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.971 1.781 . . . . 0.0 112.136 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -132.58 81.31 59.91 Favored Pre-proline 0 CA--C 1.547 0.827 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -71.51 149.75 56.43 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.123 1.882 . . . . 0.0 112.201 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -133.02 80.68 59.53 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.027 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.46 148.3 54.02 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.099 1.866 . . . . 0.0 112.279 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.7 125.64 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -152.25 141.96 21.89 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -144.53 109.37 4.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -118.19 107.24 13.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.256 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.97 99.06 12.11 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.471 0.482 . . . . 0.0 110.288 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -171.9 124.92 0.55 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HG2' ' A' ' 55' ' ' GLU . 27.1 m -119.82 138.71 49.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 O-C-N 123.493 0.496 . . . . 0.0 110.916 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.68 -39.92 84.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.635 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 53' ' ' VAL . 80.0 mm-40 54.57 29.25 11.04 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.5 -41.89 7.56 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 53.61 21.1 2.4 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.58 150.37 40.97 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.318 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.42 -21.19 41.06 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.039 1.826 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.15 -46.52 96.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.66 117.88 63.09 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.381 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.91 157.08 27.24 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.023 1.815 . . . . 0.0 112.394 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -71.21 151.47 94.53 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.71 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.44 -36.51 65.78 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.788 1.659 . . . . 0.0 111.976 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -123.76 140.02 53.41 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.335 0.397 . . . . 0.0 110.966 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -81.9 157.62 68.79 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.577 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.96 149.9 76.12 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.356 2.037 . . . . 0.0 111.765 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.81 151.44 74.23 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.072 1.848 . . . . 0.0 112.01 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.54 -63.07 1.18 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -106.84 -59.86 1.75 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -153.6 154.73 34.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 77' ' ' VAL . 81.7 t -64.08 -40.68 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.622 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.45 32.4 55.06 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 77' ' ' VAL . 15.5 t0 -144.08 153.57 42.31 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.662 0.267 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.87 4.75 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.418 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.13 18.6 22.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 HG11 ' A' ' 72' ' ' VAL . 30.0 m -63.16 128.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 111.613 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -124.73 -59.89 1.41 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -59.32 135.98 88.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.53 152.66 65.45 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.919 1.746 . . . . 0.0 112.625 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.17 163.57 37.7 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.498 2.132 . . . . 0.0 112.059 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 63.44 165.76 0.11 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.262 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.21 157.96 59.48 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.305 2.003 . . . . 0.0 112.487 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.25 -44.71 92.36 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.001 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.8 m -65.55 141.73 58.35 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.419 0.449 . . . . 0.0 110.012 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 51.38 64.23 8.31 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -53.33 -39.2 82.1 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.397 2.065 . . . . 0.0 112.619 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 45.99 83.29 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 58.97 45.71 14.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.504 0.668 . . . . 0.0 110.424 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 m -138.6 110.73 8.16 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.373 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.88 137.91 80.25 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 121.818 1.679 . . . . 0.0 111.888 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.34 154.38 45.86 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.017 1.812 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.88 146.53 92.98 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.177 1.918 . . . . 0.0 111.631 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . . . -147.34 150.58 35.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.66 90.25 6.48 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.142 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.77 136.76 72.84 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.009 1.806 . . . . 0.0 112.013 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 98' ' ' PHE . 33.8 m -56.66 -41.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' CD1' HG23 ' A' ' 97' ' ' VAL . 98.6 m-85 -71.9 -49.25 39.51 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.332 0.395 . . . . 0.0 110.133 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.94 54.62 0.76 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.396 1.093 . . . . 0.0 108.402 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -145.66 -30.3 0.41 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 113.646 -1.615 . . . . 0.0 110.312 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.41 143.39 57.85 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.063 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -143.73 136.83 27.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.89 146.97 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.056 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.65 68.77 0.68 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.519 0.676 . . . . 0.0 110.341 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 60.57 163.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.681 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -68.83 -17.44 64.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 14' ' ' LEU . 27.8 tp -50.21 -51.4 44.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.89 159.9 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.51 76.04 0.09 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' A' ' 94' ' ' ALA . 35.9 m -133.88 157.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.045 0.45 . . . . 0.0 111.718 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 t -79.96 153.81 28.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.953 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.68 151.33 30.44 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.81 151.13 33.04 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -94.22 52.98 1.66 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.638 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.04 154.62 35.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.418 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.88 19.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.21 88.25 2.37 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.394 0.434 . . . . 0.0 110.529 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -160.34 141.82 12.42 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 165.69 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.557 0.535 . . . . 0.0 110.164 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -116.65 149.59 39.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.83 58.42 2.51 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -71.29 160.27 33.1 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.476 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.8 tp 61.85 148.65 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 -64.24 0.71 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.051 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 m -140.74 143.59 35.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.62 -169.23 0.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.61 0.569 . . . . 0.0 110.268 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 127' ' ' LEU . 1.5 pt? -161.76 37.23 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.183 0.516 . . . . 0.0 110.932 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.39 141.79 52.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.615 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -131.11 79.97 69.86 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.055 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.33 151.92 54.69 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.283 1.988 . . . . 0.0 112.535 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -119.68 28.21 8.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -82.78 179.65 7.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.484 ' O ' HD22 ' A' ' 134' ' ' LEU . . . -160.14 162.55 33.28 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 133' ' ' GLY . 0.7 OUTLIER -133.33 164.88 26.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 54.89 87.25 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -109.88 16.77 21.76 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.617 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.3 t60 55.9 38.79 30.41 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.127 0.489 . . . . 0.0 110.435 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.48 142.64 19.27 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.24 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.58 137.33 58.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.206 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.91 138.54 58.43 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.465 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 11' ' ' GLU . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' HG22 ' A' ' 9' ' ' THR . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 105' ' ' GLU . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -103.33 119.46 38.92 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 43.8 69.53 0.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.491 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 21' ' ' ILE . 87.7 mt -60.87 -47.13 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 20' ' ' ILE . 39.1 pt -125.35 9.29 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.913 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t 54.0 21.31 2.83 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -66.06 110.46 2.96 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -168.05 1.41 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.026 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -87.4 33.76 0.69 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.036 0.446 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -68.77 160.84 75.5 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 27.6 Cg_endo -60.55 -23.06 74.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.178 1.918 . . . . 0.0 112.816 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 139.61 57.3 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.158 0.286 . . . . 0.0 110.247 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -159.15 70.2 3.43 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.07 65.96 8.81 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.096 1.864 . . . . 0.0 112.406 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.15 148.44 25.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.124 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.26 22.74 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 61.07 -82.85 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.89 157.51 39.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -168.39 -59.97 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 71.2 Cg_endo -72.48 157.55 52.71 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.074 1.849 . . . . 0.0 112.006 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.39 154.61 68.96 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.136 1.89 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.91 141.5 85.74 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.224 1.949 . . . . 0.0 111.904 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.38 151.39 59.74 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.044 1.83 . . . . 0.0 112.432 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.92 156.21 52.62 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.209 1.939 . . . . 0.0 112.135 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -157.8 -51.16 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.433 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.06 141.19 97.97 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 121.704 1.603 . . . . 0.0 111.741 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -130.21 70.26 82.17 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.91 146.13 52.26 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.012 1.808 . . . . 0.0 111.572 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -142.52 75.88 18.61 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 123.442 0.464 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.36 147.21 52.34 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.929 1.753 . . . . 0.0 111.582 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.86 132.5 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -176.45 -63.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.105 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -151.23 162.6 40.59 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' OD2' HG12 ' A' ' 53' ' ' VAL . 53.4 p-10 -119.77 170.95 8.75 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.381 0.426 . . . . 0.0 110.97 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.02 -47.89 83.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.59 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -158.97 151.88 22.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' OD2' ' A' ' 50' ' ' ASP . 32.5 m -116.72 159.0 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.293 0.37 . . . . 0.0 111.165 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.2 pp -136.84 154.17 50.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.407 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -99.31 1.37 44.48 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.5 tp -95.13 106.99 19.05 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.555 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.1 p -138.15 166.49 24.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.946 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.09 153.26 95.46 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.74 137.51 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.734 1.623 . . . . 0.0 112.892 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.08 -32.12 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.992 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.85 153.09 78.49 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.76 148.03 57.69 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.14 1.893 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.17 152.08 92.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.79 -25.77 68.0 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.997 1.798 . . . . 0.0 112.382 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.15 132.34 55.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.962 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.8 tp 48.84 65.92 6.44 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.981 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.27 138.1 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.217 1.944 . . . . 0.0 112.105 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.78 143.44 99.62 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.134 1.889 . . . . 0.0 112.302 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.77 149.93 49.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -129.69 72.77 1.49 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.257 0.551 . . . . 0.0 110.638 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.2 m -136.65 128.34 28.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.506 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.27 160.46 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.221 0.326 . . . . 0.0 110.985 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.58 164.31 27.4 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -162.64 159.72 24.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.612 0.244 . . . . 0.0 110.629 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 14' ' ' LEU . 18.8 tt -82.6 -36.25 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.237 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.61 165.92 11.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.015 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.95 128.13 38.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -132.97 98.89 4.41 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.3 p -142.43 57.93 6.9 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.84 152.9 53.0 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.096 1.864 . . . . 0.0 111.763 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.88 139.58 89.67 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 121.978 1.785 . . . . 0.0 111.597 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.78 150.18 81.32 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.46 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.97 150.11 60.31 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.939 1.759 . . . . 0.0 111.949 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -103.58 142.78 33.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.141 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.0 p -146.85 160.86 41.77 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.442 0.464 . . . . 0.0 111.147 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -130.45 93.96 31.06 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.949 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.43 138.82 74.33 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.986 1.79 . . . . 0.0 111.95 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.21 160.38 40.82 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -62.86 -38.4 90.7 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.6 p -76.47 164.56 58.94 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 123.5 0.5 . . . . 0.0 110.294 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.43 146.87 71.64 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 122.245 1.963 . . . . 0.0 112.224 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.7 150.76 59.74 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.297 1.998 . . . . 0.0 112.329 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.94 158.02 58.12 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.251 1.968 . . . . 0.0 112.439 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.64 149.17 48.4 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.83 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.76 154.18 13.35 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.64 146.78 49.82 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.25 1.967 . . . . 0.0 112.887 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.4 -32.02 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.133 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.15 128.81 37.34 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -164.87 -39.47 0.03 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.423 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -52.39 -70.56 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.607 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.0 t0 56.44 50.89 12.24 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.297 0.57 . . . . 0.0 110.94 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.43 171.84 12.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.124 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.8 m -65.85 178.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.03 94.68 5.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.649 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' HG21 ' A' ' 17' ' ' ILE . 35.5 tp10 -155.04 154.28 32.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.845 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -76.9 -3.71 40.05 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.723 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.09 90.09 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m 41.43 -162.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.167 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.08 -160.39 22.27 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.05 132.26 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.02 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 t -131.34 99.64 4.91 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.55 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.44 158.68 44.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.221 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.38 155.32 41.11 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 t -142.99 139.69 30.72 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 0.0 111.299 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.78 115.34 0.45 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.43 -39.49 0.02 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -157.69 155.05 29.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.221 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -149.78 141.48 23.59 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.99 150.35 49.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -97.64 13.77 29.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.699 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.61 134.58 8.13 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -72.8 149.34 43.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.523 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.9 109.79 22.48 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.999 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p -147.42 163.84 35.21 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.479 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -148.46 173.46 13.09 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.878 0.736 . . . . 0.0 109.667 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.32 157.21 36.17 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.333 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tt -171.44 66.92 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.364 0.602 . . . . 0.0 110.226 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.2 mp -72.02 143.07 49.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.689 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.9 mtt -109.4 151.26 42.03 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.198 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.36 148.48 61.29 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 121.916 1.744 . . . . 0.0 112.284 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -167.47 -44.91 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 t0 50.37 -176.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.074 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.65 64.7 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 67.2 121.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.285 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -62.58 -40.68 97.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.474 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.3 t60 58.6 74.25 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -62.08 -40.75 96.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.586 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 51.14 31.27 6.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 52.41 45.69 28.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.318 0.58 . . . . 0.0 110.572 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -66.41 -20.98 66.21 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.681 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.157 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 75' ' ' ILE . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 105' ' ' GLU . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -141.36 107.42 5.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -171.15 142.63 1.8 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.979 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -131.47 146.29 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.196 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -167.13 147.06 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.3 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.0 p -106.43 136.6 45.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.371 0.419 . . . . 0.0 110.656 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.91 156.35 44.89 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.489 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.16 146.3 54.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.759 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.95 -42.22 81.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.603 0.564 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . . . -83.63 120.46 75.33 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.52 -16.4 34.34 Favored 'Trans proline' 0 N--CA 1.504 2.101 0 C-N-CA 122.032 1.822 . . . . 0.0 112.953 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.81 -4.43 59.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 13.0 pt-20 -144.81 57.04 4.22 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.8 147.76 40.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.878 1.719 . . . . 0.0 112.439 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.88 156.12 30.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.049 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.52 141.84 35.28 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.415 0.447 . . . . 0.0 111.05 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -143.15 141.38 31.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.66 131.47 46.55 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.336 0.398 . . . . 0.0 110.718 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.07 100.43 0.37 Allowed Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.161 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.31 145.27 65.21 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -76.3 162.19 34.08 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.426 2.084 . . . . 0.0 112.802 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.23 164.8 8.1 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.35 2.033 . . . . 0.0 111.388 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.8 137.78 34.45 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.811 1.674 . . . . 0.0 111.638 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.44 154.49 60.62 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.134 1.89 . . . . 0.0 113.3 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -140.42 157.04 69.28 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.645 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.47 137.48 36.41 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.742 1.628 . . . . 0.0 112.041 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -160.02 81.39 2.37 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 -30.54 58.59 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.934 1.756 . . . . 0.0 112.025 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 43.57 55.66 11.95 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.302 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.05 138.76 31.55 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.001 1.801 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.99 -42.92 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -115.65 -21.45 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.4 t80 55.95 57.31 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.025 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -103.99 105.04 15.09 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.357 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -92.47 173.9 7.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.405 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -176.1 94.91 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.85 127.03 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.444 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.7 -39.95 84.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 59.51 35.81 22.81 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -117.72 151.17 37.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.283 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 m -57.12 132.79 53.99 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.923 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.45 135.37 96.23 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.018 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.95 158.97 53.97 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.679 1.586 . . . . 0.0 111.721 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 tt -107.82 139.72 28.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.58 157.44 76.48 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.71 133.07 52.45 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.966 1.777 . . . . 0.0 111.996 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -159.64 99.75 1.51 Allowed Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.956 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.73 137.93 79.82 Favored 'Trans proline' 0 N--CA 1.503 2.072 0 C-N-CA 122.063 1.842 . . . . 0.0 113.029 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 56.67 33.83 23.51 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.397 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt 59.23 149.3 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.164 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.09 154.28 63.46 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.341 2.027 . . . . 0.0 112.211 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.49 151.68 44.41 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.18 1.92 . . . . 0.0 110.928 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.11 -44.43 97.36 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.242 0.339 . . . . 0.0 110.739 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.97 171.46 0.52 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 111.288 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.9 p -127.6 170.19 12.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 m -106.07 147.7 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.45 -177.69 37.13 Favored Glycine 0 C--N 1.332 0.361 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.23 165.65 26.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.694 HD11 HD21 ' A' ' 14' ' ' LEU . 19.0 tt -75.53 -34.43 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -159.89 151.49 19.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.0 t 60.45 99.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.837 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -72.06 132.1 43.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.767 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m -63.66 153.07 84.69 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.402 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.06 139.59 61.41 Favored 'Trans proline' 0 N--CA 1.503 2.08 0 C-N-CA 122.092 1.862 . . . . 0.0 112.083 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.2 153.52 62.1 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.061 1.841 . . . . 0.0 112.339 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -113.91 104.66 54.98 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.664 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.8 145.19 61.96 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.906 1.737 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.63 -167.09 1.77 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -91.1 165.25 13.6 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -127.54 64.41 63.05 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.4 141.2 97.23 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.216 1.944 . . . . 0.0 112.169 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.55 95.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.999 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.93 -48.21 82.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.551 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 90' ' ' THR . 7.2 t -140.25 99.17 7.28 Favored Pre-proline 0 CA--C 1.547 0.859 0 O-C-N 123.364 0.415 . . . . 0.0 111.391 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.49 148.82 26.72 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.96 1.773 . . . . 0.0 111.964 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.64 156.88 56.94 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.265 1.977 . . . . 0.0 111.893 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 141.24 88.5 Favored 'Trans proline' 0 N--CA 1.502 1.988 0 C-N-CA 122.044 1.829 . . . . 0.0 111.806 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.26 137.03 50.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.21 155.51 12.02 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -58.53 142.61 98.28 Favored 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 122.118 1.879 . . . . 0.0 111.499 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -58.51 125.44 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.364 0.415 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -138.72 118.96 13.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.11 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.3 -39.83 7.02 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.419 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 172.71 -70.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.13 39.06 31.36 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.698 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -114.77 -79.07 0.58 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.749 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.56 159.9 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.15 133.66 35.17 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.644 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' CD ' HD22 ' A' ' 14' ' ' LEU . 4.7 tp10 47.3 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.245 0.341 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HG2' HG12 ' A' ' 108' ' ' VAL . 50.2 tt0 -87.69 -53.88 4.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.137 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 14' ' ' LEU . 15.5 tp 72.02 56.33 0.17 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.598 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 106' ' ' GLN . 12.4 p -150.76 144.53 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.321 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.94 158.06 28.29 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.91 149.4 23.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 O-C-N 123.549 0.205 . . . . 0.0 110.79 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -149.66 139.08 21.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.25 -51.45 0.35 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.355 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.93 26.13 7.57 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -66.48 -37.31 84.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.79 151.86 30.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.98 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 49.55 80.91 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.085 0.469 . . . . 0.0 110.949 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -123.28 123.2 40.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.63 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 123.687 0.617 . . . . 0.0 111.396 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -148.93 162.6 39.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.15 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.51 74.23 0.35 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -155.82 145.54 21.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.656 ' CD1' ' HB3' ' A' ' 126' ' ' ALA . 57.8 tp -108.12 120.02 41.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.82 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.3 p -166.55 -31.44 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.6 m -109.16 -21.41 12.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.787 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.656 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -60.51 -43.72 96.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.686 0.279 . . . . 0.0 110.534 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.5 mt -118.12 147.45 43.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.039 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.15 79.61 3.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 109.901 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 60.4 ttp -139.1 83.53 17.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.253 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.58 138.62 87.01 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.19 1.927 . . . . 0.0 112.159 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 53.1 176.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.155 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -106.55 16.14 24.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.655 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.84 2.13 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.14 145.18 53.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.11 129.43 44.92 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.796 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.705 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 73.0 t60 55.69 66.6 1.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.524 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -68.0 146.33 53.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.55 -46.2 91.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.938 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.4 137.45 58.17 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HA ' HD12 ' A' ' 13' ' ' ILE . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 10' ' ' MET . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 45.43 25.03 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.98 127.24 50.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 tt -55.33 165.25 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.399 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.5 mt -50.62 150.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.3 p -155.28 163.04 40.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 57.28 80.28 0.17 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 110.454 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.84 -45.43 90.05 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.863 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -82.12 57.8 3.7 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.512 0.672 . . . . 0.0 109.724 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.66 149.33 96.85 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.731 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.81 145.28 97.02 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.218 1.945 . . . . 0.0 112.228 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.3 145.95 39.74 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.347 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -151.25 56.56 2.04 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.536 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.28 151.43 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.909 1.739 . . . . 0.0 112.027 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.68 158.47 41.1 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.7 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.37 149.92 33.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.334 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -130.86 151.05 51.71 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.47 91.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.696 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.55 64.89 2.32 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.64 162.82 41.17 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.409 2.073 . . . . 0.0 112.332 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.46 147.89 66.08 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.164 1.909 . . . . 0.0 112.009 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.83 157.36 60.53 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.069 1.846 . . . . 0.0 112.578 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.03 161.55 45.56 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.441 2.094 . . . . 0.0 112.157 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.74 154.95 71.84 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.183 1.922 . . . . 0.0 112.175 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.69 156.67 73.12 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.17 161.19 46.85 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 122.102 1.868 . . . . 0.0 112.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.62 69.95 8.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.12 -17.77 59.78 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.378 2.052 . . . . 0.0 112.565 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -127.07 74.87 76.9 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.236 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.49 -15.57 45.46 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.318 2.012 . . . . 0.0 112.879 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.4 161.26 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.79 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p -146.93 167.35 24.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -160.54 135.87 7.97 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.66 140.58 50.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -101.87 133.05 47.25 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -172.67 71.3 0.04 OUTLIER 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 109.529 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.92 -33.99 21.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.093 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -135.11 136.85 42.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 57' ' ' THR . 24.1 pt-20 -64.19 -22.02 66.79 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.245 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.17 36.3 22.13 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.462 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' CG ' ' A' ' 55' ' ' GLU . 67.4 p -74.33 155.6 38.01 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -93.23 151.6 40.52 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.02 -19.57 39.49 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.049 1.833 . . . . 0.0 112.343 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.45 133.87 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.8 88.25 47.12 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.459 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -59.26 146.99 92.88 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.376 2.051 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.67 148.31 98.57 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.547 0.529 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.73 157.64 51.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.262 1.975 . . . . 0.0 112.396 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -126.82 143.36 51.28 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.86 -51.27 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.345 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.5 134.05 61.65 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.616 1.544 . . . . 0.0 111.836 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' HG21 ' A' ' 90' ' ' THR . 64.8 Cg_endo -86.56 -168.85 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.435 2.09 . . . . 0.0 112.549 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 69' ' ' LEU . 7.7 mp -67.0 -39.01 87.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.422 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 63.38 89.86 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.415 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.0 m -117.81 131.2 56.6 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.434 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.62 170.08 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.774 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.11 136.44 6.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -136.08 -159.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -122.62 -39.85 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.99 113.4 20.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.86 130.47 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -141.39 159.81 41.44 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.336 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.7 p -122.15 73.21 37.22 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.32 150.87 47.72 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.268 1.979 . . . . 0.0 111.762 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.88 -31.62 56.67 Favored 'Trans proline' 0 N--CA 1.501 1.957 0 C-N-CA 121.832 1.688 . . . . 0.0 111.91 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -160.46 149.12 13.43 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.832 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.3 -36.09 3.44 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.084 1.856 . . . . 0.0 113.196 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 49.26 30.3 3.07 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.399 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.6 m -117.54 114.99 24.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.45 148.85 60.75 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.991 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.79 112.87 1.61 Allowed 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 121.608 1.539 . . . . 0.0 111.672 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 175.74 -40.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.256 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.66 152.83 47.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.353 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.413 HG21 ' HD2' ' A' ' 68' ' ' PRO . 87.2 m -127.19 139.12 34.25 Favored Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.11 137.41 34.36 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.774 1.65 . . . . 0.0 111.662 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.76 -43.35 55.51 Favored 'Trans proline' 0 N--CA 1.508 2.347 0 C-N-CA 122.015 1.81 . . . . 0.0 113.814 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.55 142.06 90.33 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 121.752 1.635 . . . . 0.0 112.282 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.5 92.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.548 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 53.5 57.29 13.82 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.656 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.34 55.12 5.47 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.248 1.965 . . . . 0.0 112.024 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.5 -46.69 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.715 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -91.87 124.66 36.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.55 -169.01 1.77 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.284 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.1 -46.48 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.39 140.52 17.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.839 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -119.67 37.83 4.07 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.854 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 103' ' ' VAL . 9.3 p -179.35 55.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -171.37 162.19 6.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.496 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.576 ' O ' HD23 ' A' ' 107' ' ' LEU . 44.7 tp10 -134.68 135.56 42.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.105 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -85.16 110.51 19.05 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 105' ' ' GLU . 0.5 OUTLIER -155.31 26.13 0.41 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.35 -179.24 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.86 159.93 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.726 0.298 . . . . 0.0 110.963 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.96 166.77 37.05 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.31 -25.89 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -141.24 136.76 32.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.585 0.231 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.74 156.63 39.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.42 151.26 31.45 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -62.76 -61.11 2.64 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.886 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.92 150.95 21.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.526 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.75 13.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.363 0.414 . . . . 0.0 111.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -163.99 164.74 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.072 0.233 . . . . 0.0 110.724 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -118.63 -52.01 2.36 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.18 -62.68 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.391 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.7 t80 58.83 160.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.55 44.55 7.83 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.455 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 73.1 m -162.56 -72.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.6 tp -177.6 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.208 0.318 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -174.97 -60.15 0.01 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.555 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.1 m -129.05 39.75 3.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.555 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 122' ' ' SER . . . -70.98 -40.8 71.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.796 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 135.9 56.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.718 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 80.7 mt -118.52 155.79 30.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.013 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.3 ttt -124.93 78.09 65.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.91 -17.49 32.32 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.374 2.049 . . . . 0.0 112.687 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.1 tttp 62.89 111.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -145.03 109.68 4.99 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.475 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -135.92 141.36 12.48 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 64.9 mt -143.56 146.0 32.98 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.554 0.216 . . . . 0.0 110.812 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 53.41 94.39 0.02 OUTLIER 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.639 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -63.32 -40.09 96.36 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.9 148.94 48.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.62 162.82 40.55 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -155.38 143.47 20.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -132.53 145.2 50.96 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 76.4 m80 . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.44 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 HD11 ' A' ' 75' ' ' ILE . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.467 HD12 ' OE1' ' A' ' 105' ' ' GLU . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -78.76 143.92 35.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 52.9 48.12 23.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.329 0.585 . . . . 0.0 110.801 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -49.03 148.85 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -119.07 128.68 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -148.3 139.24 23.12 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.221 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -125.33 136.41 53.45 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.382 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -160.2 153.22 21.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.31 11.06 35.98 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.958 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.94 155.6 91.42 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.61 -37.0 73.8 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 122.202 1.934 . . . . 0.0 112.253 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.52 138.26 51.22 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -102.99 -46.77 0.17 Allowed Pre-proline 0 CA--C 1.539 0.531 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.206 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.25 153.53 52.53 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.59 1.526 . . . . 0.0 112.03 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.79 138.74 28.96 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.04 162.91 36.73 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.113 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -129.35 161.69 29.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.382 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.59 148.86 34.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.56 163.01 25.64 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.66 145.11 83.49 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 121.938 1.759 . . . . 0.0 111.485 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 139.43 82.79 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.914 1.743 . . . . 0.0 112.134 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.61 155.68 49.68 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.085 1.856 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.04 157.4 57.93 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.213 1.942 . . . . 0.0 111.748 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.11 -25.27 51.11 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.14 1.894 . . . . 0.0 112.755 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.82 72.54 68.43 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.88 140.7 35.62 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 121.922 1.748 . . . . 0.0 112.191 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -132.71 70.95 79.03 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.21 138.82 37.25 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.843 1.695 . . . . 0.0 112.162 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.84 63.05 5.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.49 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.43 -31.72 71.97 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.959 1.773 . . . . 0.0 112.151 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 48' ' ' SER . 9.3 p -175.99 -48.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 47' ' ' VAL . 46.0 m -166.1 -27.89 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.237 0.336 . . . . 0.0 111.765 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -127.86 138.73 52.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -94.17 -176.69 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.994 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.56 79.22 0.3 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.095 0.474 . . . . 0.0 110.29 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -170.52 132.06 0.95 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.14 153.7 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.287 0.367 . . . . 0.0 110.324 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -170.5 168.03 7.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -132.48 138.31 47.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.112 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.4 tp -122.76 118.39 27.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -131.02 156.83 44.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.62 120.3 68.2 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -58.22 140.62 94.97 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.961 1.774 . . . . 0.0 111.997 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.5 tt -148.02 137.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.489 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.98 149.18 94.82 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.4 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 140.58 93.99 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.014 1.809 . . . . 0.0 112.016 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.27 157.35 31.72 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -83.5 55.16 4.86 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.195 1.93 . . . . 0.0 112.022 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.18 -40.78 86.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.681 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 66' ' ' LEU . 4.6 pp -115.93 156.36 46.71 Favored Pre-proline 0 CA--C 1.539 0.558 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.711 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.1 157.57 53.93 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.343 2.029 . . . . 0.0 112.658 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.62 161.61 45.42 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.311 2.008 . . . . 0.0 111.85 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt 61.94 153.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.414 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 52.17 82.0 0.07 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.0 p -131.26 160.99 33.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.815 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.0 128.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.67 42.56 0.28 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -143.85 105.93 4.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.788 -0.206 . . . . 0.0 110.538 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 HD22 ' A' ' 14' ' ' LEU . 96.4 mt -61.9 -47.9 91.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -166.0 72.17 0.15 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.441 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.5 p -155.53 137.03 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.195 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -138.36 156.34 47.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 67.21 87.52 0.12 Allowed Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.413 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.84 164.42 34.69 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.509 2.139 . . . . 0.0 112.441 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.78 -176.42 0.73 Allowed 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.315 2.01 . . . . 0.0 112.383 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -60.36 152.15 65.54 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.993 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.17 -178.4 2.48 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.34 2.027 . . . . 0.0 112.786 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 49.22 33.43 5.09 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.234 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.5 p -163.47 162.07 24.51 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -137.45 58.0 15.84 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.87 153.78 63.64 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.179 1.919 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.66 -71.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -144.59 129.15 18.07 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -77.48 130.82 73.08 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.52 139.86 88.33 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.742 1.628 . . . . 0.0 111.817 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.09 154.35 52.36 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.089 1.859 . . . . 0.0 112.424 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -55.38 -31.87 79.24 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.239 1.959 . . . . 0.0 111.931 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 70.96 121.02 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.916 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.13 90.86 5.64 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.891 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.65 -41.43 61.46 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 121.963 1.775 . . . . 0.0 112.076 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.6 t 40.37 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.535 0.522 . . . . 0.0 111.304 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -92.37 102.9 15.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -120.86 36.56 4.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.375 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 67.42 26.86 8.23 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.52 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -121.25 145.19 48.12 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -157.4 156.06 31.58 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.135 0.272 . . . . 0.0 110.873 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.7 m 42.07 70.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.53 0.681 . . . . 0.0 112.313 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.85 86.48 2.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.182 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' OE1' HD12 ' A' ' 17' ' ' ILE . 22.1 tt0 55.48 22.05 4.79 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.706 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -76.24 125.32 28.95 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 14' ' ' LEU . 76.1 mt -124.48 102.89 7.87 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -137.39 159.48 35.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -132.38 143.4 15.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.86 -46.21 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.5 t 47.09 66.61 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.329 0.585 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.13 99.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.93 63.47 1.32 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.344 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.0 t -118.81 122.81 43.26 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.58 -60.33 0.24 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.79 63.66 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.308 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.61 116.11 26.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.007 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -160.46 160.01 31.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.04 145.05 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.358 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.96 -43.82 2.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.848 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -170.55 177.63 43.6 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.1 t -137.39 147.32 45.37 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.063 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 123' ' ' LEU . 7.5 mp -61.69 -38.51 88.11 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.1 p -160.81 157.95 27.62 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -140.28 151.01 44.76 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.196 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.96 172.17 8.12 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.549 0.531 . . . . 0.0 110.071 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.11 149.8 52.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.2 mp -74.6 145.91 42.94 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.191 0.307 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.0 ttm -61.42 132.4 92.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.98 152.26 62.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.011 1.807 . . . . 0.0 112.494 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -63.13 133.54 54.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.132 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -85.88 135.66 33.61 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.54 -157.35 30.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 77.0 mt 57.53 177.88 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.32 143.56 46.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.557 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -69.45 -18.76 63.75 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.799 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 137.4 57.89 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 54.67 41.98 31.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.265 0.555 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -106.62 110.05 22.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -99.36 -53.69 3.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.612 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.696 -179.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.469 ' O ' HD13 ' A' ' 14' ' ' LEU . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 10' ' ' MET . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 13' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.527 ' HB2' HD11 ' A' ' 13' ' ' ILE . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.626 HG22 ' H ' ' A' ' 11' ' ' GLU . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 9' ' ' THR . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 2' ' ' SER . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 . . . . . 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' HD2' ' A' ' 8' ' ' PRO . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' GLU . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' GLU . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 9' ' ' THR . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 7' ' ' GLU . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 . . . . . 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 14' ' ' LEU . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' HG13 ' A' ' 17' ' ' ILE . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 16' ' ' SER . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 . . . . . 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 17' ' ' ILE . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.45 HG23 ' SD ' ' A' ' 1' ' ' MET . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' A' ' 1' ' ' MET . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 11' ' ' GLU . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 9' ' ' THR . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 . . . . . 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 9' ' ' THR . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 7' ' ' GLU . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 . . . . . 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 11' ' ' GLU . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' HG22 ' A' ' 9' ' ' THR . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.461 ' HA ' HD12 ' A' ' 13' ' ' ILE . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 10' ' ' MET . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 . . . . . 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -62.9 -43.06 99.8 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.887 0.117 . . . . 0.0 111.165 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -126.16 -49.85 1.56 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -172.82 83.15 0.05 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.353 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 t -71.75 142.39 49.74 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.336 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -73.22 -50.43 22.47 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -109.67 147.38 36.0 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.63 121.22 6.57 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.79 1.66 . . . . 0.0 111.849 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.7 m -97.09 137.94 35.38 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.651 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.469 ' O ' HD13 ' A' ' 14' ' ' LEU . 25.3 mmt -63.0 -40.5 97.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.957 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.06 -52.77 63.95 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.421 0.451 . . . . 0.0 109.79 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.93 -42.18 84.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.566 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.5 -46.26 93.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 10' ' ' MET . 6.3 mp -59.18 -41.6 88.84 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.88 90.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.57 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -61.87 -39.45 91.95 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -66.23 -45.48 89.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.395 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -134.79 138.75 44.55 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -116.63 23.35 12.07 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -120.45 159.34 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.933 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD12 ' HB3' ' A' ' 76' ' ' ASP . 6.8 tp -67.36 126.13 26.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.704 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.1 p -157.73 160.78 38.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.357 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -77.02 136.69 38.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.278 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD1' HD21 ' A' ' 107' ' ' LEU . 70.0 m-20 -124.82 113.68 18.23 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.283 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -107.94 20.95 18.09 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 149.1 95.36 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.92 155.82 61.44 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.148 1.899 . . . . 0.0 112.488 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.43 154.7 43.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -145.32 55.39 2.91 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.33 155.81 55.45 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.9 1.733 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.61 140.4 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.271 0.357 . . . . 0.0 110.617 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.03 32.74 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.05 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -146.65 124.09 11.68 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.377 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.64 148.64 12.57 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.708 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -161.88 59.25 0.98 Allowed Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.165 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.93 145.95 41.12 Favored 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.034 1.823 . . . . 0.0 112.361 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.34 147.79 92.62 Favored 'Trans proline' 0 N--CA 1.503 2.046 0 C-N-CA 122.064 1.842 . . . . 0.0 111.684 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.78 150.97 68.77 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 121.882 1.721 . . . . 0.0 111.601 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.27 148.53 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.155 1.904 . . . . 0.0 112.042 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.02 -28.66 49.38 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.973 1.782 . . . . 0.0 112.406 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 46.62 56.08 16.5 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.721 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.94 -20.91 50.74 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.355 2.037 . . . . 0.0 112.857 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -70.24 155.69 93.04 Favored Pre-proline 0 CA--C 1.543 0.702 0 O-C-N 123.3 0.375 . . . . 0.0 111.301 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -74.67 164.13 34.38 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.538 2.158 . . . . 0.0 112.075 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -127.65 65.36 66.94 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.398 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.13 -21.88 26.67 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.24 1.96 . . . . 0.0 112.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.5 133.19 69.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.3 p -66.69 159.71 27.18 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -73.47 -48.96 29.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.825 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -112.35 111.17 21.85 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.99 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -62.85 143.59 57.44 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.217 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -144.47 17.16 1.68 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -127.42 147.87 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.609 0.242 . . . . 0.0 110.719 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.9 mt -143.24 136.87 28.49 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.422 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' HD22 ' A' ' 56' ' ' LEU . 49.8 tt0 -150.16 115.61 5.48 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.447 0.467 . . . . 0.0 110.337 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 55' ' ' GLU . 3.6 mm? -125.51 112.75 16.59 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.935 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.4 m -63.3 -45.19 92.52 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.58 114.68 62.64 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.53 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.23 153.44 62.0 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.873 1.715 . . . . 0.0 111.97 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.7 pt -128.75 157.18 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.83 73.52 78.57 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.01 55.61 5.68 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.089 1.86 . . . . 0.0 112.203 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 59.2 159.52 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.046 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.95 68.44 8.3 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.249 1.966 . . . . 0.0 111.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -141.97 124.05 15.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.777 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 tp -137.11 83.03 28.64 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.289 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.99 145.28 98.08 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.279 1.986 . . . . 0.0 112.105 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.19 155.34 61.14 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.091 1.86 . . . . 0.0 111.886 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.9 tp -92.83 117.79 30.4 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -122.93 153.12 40.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.613 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.1 p -126.04 160.34 30.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.38 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG22 ' CD2' ' A' ' 78' ' ' TYR . 13.1 p -135.51 141.29 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.791 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.36 79.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -168.13 177.1 5.69 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.1 tt -64.61 -21.84 30.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 21' ' ' ILE . 98.6 m-20 -61.61 140.08 58.19 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.425 0.453 . . . . 0.0 110.134 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.09 131.68 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD2' HG22 ' A' ' 72' ' ' VAL . 96.4 m-85 -81.66 125.53 30.68 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.732 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.0 p -134.46 158.87 74.21 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.009 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.55 152.13 78.76 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.908 1.739 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -66.11 -23.71 52.86 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 122.222 1.948 . . . . 0.0 113.087 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -128.14 70.09 78.25 Favored Pre-proline 0 CA--C 1.549 0.919 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.287 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.06 58.35 6.94 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.241 1.961 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -63.38 -43.79 96.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.617 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -114.82 44.29 1.8 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.168 0.508 . . . . 0.0 111.042 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -128.14 74.48 79.25 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.742 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.61 142.21 47.94 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.109 1.873 . . . . 0.0 112.675 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 173.35 -50.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.687 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -70.41 -29.86 66.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.321 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 m -111.27 101.2 49.86 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.159 -0.448 . . . . 0.0 110.15 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -75.26 161.98 37.16 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.232 1.955 . . . . 0.0 112.475 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.78 165.14 32.0 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.259 1.973 . . . . 0.0 111.539 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.25 141.82 89.26 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.844 1.696 . . . . 0.0 111.982 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.2 23.53 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.744 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.96 54.58 7.69 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 123.431 0.457 . . . . 0.0 111.457 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -82.07 146.56 14.41 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.341 2.028 . . . . 0.0 111.445 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.14 128.73 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -67.22 134.55 51.88 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -104.98 156.83 17.68 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.539 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -57.26 95.65 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -121.29 112.79 19.04 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.705 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -146.08 142.37 28.48 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.719 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.92 153.12 10.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.647 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.25 -74.98 0.08 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.443 0.465 . . . . 0.0 110.461 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 58.89 -87.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.331 0.395 . . . . 0.0 110.45 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -158.83 -27.97 0.07 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD21 ' OD1' ' A' ' 24' ' ' ASP . 4.9 tt -55.58 -72.8 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.86 128.15 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 120.746 0.307 . . . . 0.0 110.469 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.45 66.23 0.44 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t 44.87 90.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 122.257 0.223 . . . . 0.0 110.634 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 95.4 p -154.53 160.81 41.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.718 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.73 -47.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 57.27 165.05 0.03 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 64.7 m -129.1 154.64 46.5 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.65 38.3 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.74 157.38 24.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -141.22 149.32 41.23 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.268 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.3 t -167.93 114.84 0.71 Allowed 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.1 31.77 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.56 145.87 51.0 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.064 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.18 138.26 23.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.5 p -71.09 161.26 31.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.683 0.278 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.506 ' N ' HD23 ' A' ' 123' ' ' LEU . 1.3 pt? -147.46 170.26 17.78 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.468 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.7 p -161.03 162.28 31.7 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 t -140.22 55.21 1.62 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.475 0.655 . . . . 0.0 109.537 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.52 155.51 33.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.615 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 127' ' ' LEU . 4.4 pp -156.57 159.02 38.13 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.1 mp -67.22 139.11 57.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.609 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -132.2 81.5 61.12 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.997 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -67.07 -24.96 44.39 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.275 1.984 . . . . 0.0 112.851 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -90.83 133.19 35.4 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.351 0.407 . . . . 0.0 110.788 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -118.01 -43.74 2.74 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.335 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 72.51 60.5 4.0 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.82 -40.24 94.58 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.588 0.228 . . . . 0.0 110.707 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -77.41 143.94 38.25 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.345 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -148.8 132.53 16.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.125 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -155.44 137.38 14.52 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.251 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -146.32 -59.52 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.277 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -72.56 147.42 45.93 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.45 147.07 48.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.2 t60 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.755 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mmt . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -152.34 142.32 22.16 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.218 0.324 . . . . 0.0 110.941 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -71.22 148.94 46.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.005 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -53.88 160.94 1.29 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m 58.61 63.95 1.57 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.401 0.62 . . . . 0.0 110.173 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -170.09 -71.5 0.02 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.667 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -165.14 87.37 1.01 Allowed Pre-proline 0 CA--C 1.541 0.6 0 O-C-N 123.316 0.385 . . . . 0.0 110.523 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -61.72 86.53 0.1 OUTLIER 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.772 1.648 . . . . 0.0 111.667 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.3 m -68.19 150.97 47.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.948 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -59.6 -42.2 92.05 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.28 -36.62 75.89 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.189 0.306 . . . . 0.0 110.353 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -62.24 -46.89 86.81 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.57 -45.88 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.442 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 107' ' ' LEU . 6.4 mp -52.23 -47.36 65.74 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.37 84.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -60.12 -39.87 87.75 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.629 0.252 . . . . 0.0 111.159 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 106' ' ' GLN . 88.9 mt -60.97 -43.71 96.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.126 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -132.4 140.93 48.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -55.66 129.44 39.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.936 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 pt -102.03 -6.59 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.365 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.19 102.86 11.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.2 m -139.32 156.77 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -147.06 145.78 29.78 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.462 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -149.88 146.27 27.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.504 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -105.78 18.28 22.39 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 149.04 98.04 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.395 -0.336 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.0 -21.83 48.94 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.147 1.898 . . . . 0.0 112.83 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.89 76.59 0.3 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.325 0.584 . . . . 0.0 110.083 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -145.41 56.59 3.63 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.049 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -70.83 153.51 63.99 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 121.917 1.745 . . . . 0.0 112.164 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.73 155.53 36.11 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.17 151.45 35.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.137 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.383 0.427 . . . . 0.0 110.724 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.44 109.98 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.146 0.498 . . . . 0.0 110.501 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.29 113.6 60.5 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.568 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -53.95 -43.67 56.13 Favored 'Trans proline' 0 N--CA 1.504 2.105 0 C-N-CA 121.942 1.761 . . . . 0.0 113.533 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.74 157.36 43.91 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.798 1.665 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.28 156.13 62.66 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.265 1.977 . . . . 0.0 112.197 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.42 156.04 62.46 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.22 1.947 . . . . 0.0 112.292 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.86 152.87 68.9 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.184 1.922 . . . . 0.0 112.128 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.89 151.37 95.13 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.39 155.35 60.22 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.216 1.944 . . . . 0.0 112.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.38 156.06 80.64 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -70.45 149.25 62.19 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.055 1.837 . . . . 0.0 112.235 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.12 71.52 82.2 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.88 153.8 63.61 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.186 1.924 . . . . 0.0 111.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.21 153.85 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.715 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -109.01 12.38 25.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -98.26 -0.34 44.19 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -89.95 96.36 10.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -117.97 -59.43 1.91 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.731 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -158.2 140.66 14.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.0 t -103.78 123.59 57.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.46 147.3 53.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.939 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.88 23.04 2.88 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.935 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -118.47 146.31 44.6 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -153.78 137.61 16.21 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.293 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -93.24 151.16 40.16 Favored Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.014 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.35 143.62 48.51 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 121.763 1.642 . . . . 0.0 111.775 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 60' ' ' ILE . 8.2 tp -172.16 45.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.328 0.585 . . . . 0.0 110.157 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB3' ' HD3' ' A' ' 62' ' ' PRO . . . -60.13 -52.2 75.02 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 73.9 Cg_endo -73.71 146.34 38.25 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 121.861 1.707 . . . . 0.0 112.641 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -137.33 149.96 67.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.79 -37.56 95.51 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.991 1.794 . . . . 0.0 111.262 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -150.42 161.77 41.85 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.818 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.3 mp -109.14 148.7 38.5 Favored Pre-proline 0 CA--C 1.541 0.603 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.733 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.75 146.51 95.36 Favored 'Trans proline' 0 N--CA 1.503 2.047 0 C-N-CA 122.194 1.929 . . . . 0.0 111.649 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.43 142.94 46.23 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.822 1.681 . . . . 0.0 111.94 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -128.1 125.07 38.49 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.945 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -117.53 136.43 53.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.567 HG22 ' OD2' ' A' ' 101' ' ' ASP . 48.2 m -136.53 129.16 30.52 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.927 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.38 126.23 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.26 175.95 38.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.86 81.33 0.06 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.026 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.8 -45.71 94.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t0 58.26 87.49 0.07 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.965 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.03 135.33 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.667 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -167.47 158.44 11.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.4 t -120.46 94.48 48.79 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.007 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.61 -42.56 66.42 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.105 1.87 . . . . 0.0 113.701 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.2 130.75 41.88 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.69 1.593 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.07 -50.8 67.14 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.453 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.51 154.55 50.27 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.866 1.711 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 54.11 58.29 5.15 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.7 t -88.82 134.37 33.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.808 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -138.57 75.76 37.37 Favored Pre-proline 0 CA--C 1.547 0.849 0 O-C-N 123.297 0.373 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 146.62 50.84 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.028 1.819 . . . . 0.0 111.739 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.24 150.84 20.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -158.17 78.51 0.82 Allowed 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.7 p -81.55 156.85 70.58 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.15 153.6 57.05 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.189 1.926 . . . . 0.0 112.169 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.26 149.55 63.88 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.165 1.91 . . . . 0.0 112.227 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.96 -27.84 25.05 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.084 1.856 . . . . 0.0 113.012 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.04 155.54 25.48 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.335 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB3' ' HD2' ' A' ' 100' ' ' ARG . . . 52.94 71.07 1.54 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.071 178.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.79 -37.84 76.91 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.125 1.883 . . . . 0.0 111.989 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.56 154.68 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.628 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 57.84 166.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.76 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -107.36 26.71 9.88 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.613 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 1.7 mpp_? 58.6 19.7 6.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.21 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.567 ' OD2' HG22 ' A' ' 71' ' ' THR . 4.7 t0 -64.98 156.04 32.58 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -177.64 -41.88 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.068 0.23 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 10.9 p -114.22 32.44 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.321 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 59.76 -162.48 0.25 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.578 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -155.97 156.77 35.09 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' H ' HD13 ' A' ' 17' ' ' ILE . 98.4 mm-40 -99.56 12.03 37.56 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.468 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 14' ' ' LEU . 30.4 mt -125.81 -62.19 1.2 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.4 p -143.45 145.2 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.16 0.287 . . . . 0.0 110.607 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.88 77.72 0.14 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.3 m -142.01 152.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -72.62 158.41 35.7 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.05 0.219 . . . . 0.0 110.443 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.51 158.44 34.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.91 148.14 28.76 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.411 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.4 p -157.79 159.19 36.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -159.72 155.64 26.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.793 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.82 -55.83 0.67 Allowed 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.44 0.463 . . . . 0.0 110.546 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -153.15 153.91 33.73 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.705 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.3 p -112.2 9.66 20.1 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.464 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.59 145.53 55.51 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 120.565 0.221 . . . . 0.0 110.8 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -69.95 146.03 51.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.22 34.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.3 p -155.09 161.07 41.38 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.22 129.49 56.5 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 94.6 p -165.55 156.93 14.23 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.1 p -149.87 161.21 42.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 123.431 0.457 . . . . 0.0 110.459 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.71 152.43 37.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 tt -167.25 119.06 0.91 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.449 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -103.38 142.8 33.61 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.242 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.3 mmt 51.69 62.91 10.17 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.38 -37.41 81.56 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.203 1.935 . . . . 0.0 112.145 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -151.48 158.84 44.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -136.07 -58.01 0.76 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.565 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.8 107.12 0.37 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 82.7 mt -119.07 139.7 51.31 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.654 0.264 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -144.36 133.03 22.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.074 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -152.32 138.95 18.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.326 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -75.84 147.81 38.84 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.429 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -156.28 163.4 39.59 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.62 148.18 48.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -66.9 -20.31 65.89 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.5 t60 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.204 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 13' ' ' ILE . 19.7 ptp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.527 ' HB2' HD11 ' A' ' 13' ' ' ILE . 50.4 m 54.38 34.44 20.77 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -103.66 113.11 26.37 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.217 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 51.46 33.57 10.53 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.678 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -135.52 160.64 37.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.508 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -69.11 -179.84 1.67 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 50.86 58.26 16.99 Favored Pre-proline 0 CA--C 1.552 1.025 0 O-C-N 123.241 0.338 . . . . 0.0 111.086 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.34 29.61 0.54 Allowed 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.371 2.047 . . . . 0.0 112.75 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.626 HG22 ' H ' ' A' ' 11' ' ' GLU . 26.6 m -65.75 141.13 58.44 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.536 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.7 mtp -66.43 -27.82 68.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 9' ' ' THR . 94.5 mt-10 -57.29 -50.2 73.67 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -56.43 -39.38 73.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.546 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' A' ' 2' ' ' SER . 46.5 mm -59.12 -47.07 91.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.38 -39.58 91.18 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.27 93.61 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.291 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -62.57 -37.92 88.05 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.619 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -67.81 -49.69 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.251 0.344 . . . . 0.0 110.762 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 41.51 -101.51 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.3 0.375 . . . . 0.0 110.786 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -135.92 141.43 44.52 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 118.254 0.479 . . . . 0.0 110.351 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -61.16 -45.14 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.246 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 pt -125.66 154.24 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 123.246 0.342 . . . . 0.0 110.701 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -136.78 15.14 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.011 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -120.82 30.02 7.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.604 0.24 . . . . 0.0 110.937 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.98 98.09 9.62 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.406 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -88.8 86.37 6.95 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.914 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.11 153.12 75.71 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.05 -20.19 70.8 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.312 2.008 . . . . 0.0 112.932 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 119' ' ' ALA . . . -80.61 51.59 1.51 Allowed 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.376 0.608 . . . . 0.0 110.593 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -148.31 64.14 7.79 Favored Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.17 161.12 45.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.071 1.847 . . . . 0.0 112.141 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.74 155.46 31.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.48 139.03 31.4 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.973 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 49.49 29.08 2.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.423 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.49 137.62 54.56 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.22 159.3 26.62 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.826 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 154.4 65.03 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.144 1.896 . . . . 0.0 111.971 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.63 150.78 69.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.053 1.835 . . . . 0.0 112.22 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -72.16 155.6 56.42 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.367 2.045 . . . . 0.0 112.251 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.64 144.99 91.52 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.189 1.926 . . . . 0.0 111.75 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.47 147.39 58.21 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.023 1.815 . . . . 0.0 112.451 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -136.53 155.06 77.14 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.18 148.66 62.81 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.969 1.779 . . . . 0.0 111.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.28 149.05 91.49 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.679 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.74 149.02 53.77 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.121 1.881 . . . . 0.0 111.977 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -130.86 70.69 82.59 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.535 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -65.48 -28.15 53.98 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.132 1.888 . . . . 0.0 112.249 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -148.14 141.68 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.975 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 t -128.6 122.01 29.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -147.34 124.38 11.39 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -111.73 172.92 6.61 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -149.02 -55.46 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.169 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.86 19.52 0.13 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.775 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.08 -16.2 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.918 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.7 tp 62.0 144.67 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -134.42 138.4 44.77 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.244 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.7 tp -136.36 123.31 21.43 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.52 0.512 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.7 p -74.58 161.71 29.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.895 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -80.58 146.59 61.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.98 155.01 43.0 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.991 1.794 . . . . 0.0 112.045 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.63 -33.67 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.75 152.57 95.15 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.443 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.14 141.67 94.33 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.219 1.946 . . . . 0.0 112.09 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -130.64 86.79 51.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.205 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.93 142.76 96.67 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.122 1.882 . . . . 0.0 112.077 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -94.47 129.84 41.08 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 68.7 mt -114.82 98.76 50.69 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.51 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.82 159.38 50.79 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.095 1.863 . . . . 0.0 112.343 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.56 159.4 53.71 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.22 1.947 . . . . 0.0 111.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.5 pt? -142.35 145.17 33.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -120.3 147.22 45.28 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.447 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.0 t -145.82 151.07 37.33 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 p -139.79 140.39 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -118.78 147.02 18.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.7 32.89 0.77 Allowed 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.878 0.371 . . . . 0.0 110.885 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 75' ' ' ILE . 6.5 tp -90.13 97.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -122.75 119.79 31.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.861 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.8 m -141.25 129.95 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 123.335 0.397 . . . . 0.0 111.4 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -131.23 150.11 52.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.077 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.2 m -65.73 149.18 97.69 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.195 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.3 150.31 64.71 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.993 1.795 . . . . 0.0 112.237 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.87 138.38 85.58 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.189 1.926 . . . . 0.0 111.715 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -90.72 -57.79 0.25 Allowed Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.137 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.89 -49.27 0.56 Allowed 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.834 1.69 . . . . 0.0 113.468 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 179.49 171.58 0.98 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.227 0.329 . . . . 0.0 110.692 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.9 p -168.44 156.1 8.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.624 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -73.31 154.98 90.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.02 145.43 85.75 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.156 1.904 . . . . 0.0 111.992 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -110.97 142.28 43.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -111.53 127.3 55.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.825 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -134.91 158.86 74.05 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.696 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.69 146.81 90.65 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.334 2.022 . . . . 0.0 111.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.89 153.85 63.55 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.104 1.869 . . . . 0.0 112.158 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 60.8 Cg_endo -71.1 157.43 57.66 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 122.283 1.988 . . . . 0.0 112.094 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 93' ' ' PRO . . . 72.6 168.03 0.31 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.205 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.53 156.96 32.74 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.805 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.9 -28.13 58.61 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.152 1.901 . . . . 0.0 112.638 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.4 t -145.55 -64.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.228 0.33 . . . . 0.0 110.199 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -152.65 136.08 15.92 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.627 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -103.29 26.36 8.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.909 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 55.91 40.53 30.51 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.167 0.508 . . . . 0.0 110.634 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -96.23 40.1 1.13 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.21 -42.31 98.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.103 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.54 140.64 39.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.575 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -165.02 155.92 14.35 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.44 0.463 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -117.74 87.85 2.8 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.917 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -120.1 1.02 10.84 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.828 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.9 tp 70.75 -66.9 0.27 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.637 0.375 . . . . 0.0 110.191 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.4 156.89 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.94 133.18 12.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.9 m -76.95 -29.99 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.836 -0.182 . . . . 0.0 111.09 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.6 p -150.87 162.36 40.93 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.433 0.458 . . . . 0.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.38 56.01 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.94 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.06 152.7 30.79 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.3 p -84.22 156.19 22.14 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.36 0.412 . . . . 0.0 110.375 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.39 154.52 32.1 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -132.55 -21.47 2.24 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.892 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 61.42 118.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.801 0.334 . . . . 0.0 111.07 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.1 m -115.81 68.19 0.72 Allowed 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.409 0.623 . . . . 0.0 109.33 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' HB1' ' A' ' 28' ' ' ALA . . . -64.49 146.06 55.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.903 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -150.33 160.26 43.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -93.9 -169.9 38.34 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.5 t -147.1 145.47 29.61 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -69.9 125.6 27.23 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.187 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -157.27 140.15 15.15 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.3 m -107.13 -27.02 10.85 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.863 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -155.06 155.75 34.64 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.66 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -137.36 144.85 42.71 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.275 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.3 111.03 22.38 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.187 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.4 mtp -136.24 153.63 76.67 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.723 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.89 153.91 63.54 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 122.188 1.925 . . . . 0.0 111.852 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -105.43 136.11 45.59 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -113.89 138.0 50.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.732 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.21 165.62 38.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 tp -147.02 120.05 8.79 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -145.52 129.44 17.36 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.911 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -149.59 127.76 12.04 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.953 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -136.42 143.27 43.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -132.92 97.82 4.13 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.215 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -124.91 17.59 8.57 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.788 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -132.68 144.7 50.5 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.683 0.278 . . . . 0.0 110.71 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.729 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m 54.67 48.86 19.32 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -147.75 169.72 19.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.117 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -109.16 39.65 2.0 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.539 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -152.75 147.34 25.95 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.595 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -101.25 97.3 7.83 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.605 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' H ' ' HD2' ' A' ' 8' ' ' PRO . 51.1 mm-40 -153.47 -59.16 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 118.604 -0.712 . . . . 0.0 111.468 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HD2' ' H ' ' A' ' 7' ' ' GLU . 67.4 Cg_exo -34.55 96.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.766 2.311 . . . . 0.0 114.054 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.0 p -56.74 167.48 0.75 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.068 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 25.1 ptp -52.56 -29.55 26.12 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.384 0.428 . . . . 0.0 111.646 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -58.44 -50.43 73.73 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 78.1 mm-40 -59.42 -41.77 90.28 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.565 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 mp -58.72 -48.04 87.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.404 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 75' ' ' ILE . 7.2 mp -57.58 -38.74 75.35 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 12' ' ' GLU . . . -61.61 -38.6 88.21 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.699 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -42.54 92.32 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.297 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD11 HD13 ' A' ' 107' ' ' LEU . 96.0 mt -59.73 -44.54 94.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -47.66 154.27 0.49 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.396 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -147.3 165.29 30.58 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.123 0.264 . . . . 0.0 110.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tp -128.27 143.15 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.154 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -76.54 136.48 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.343 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -111.1 118.76 36.88 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.388 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -63.51 -40.98 98.48 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.684 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -142.08 116.32 9.49 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.415 0.447 . . . . 0.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.23 -34.84 14.11 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.431 0.457 . . . . 0.0 110.694 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 155.14 91.36 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.434 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.84 143.25 96.03 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 122.159 1.906 . . . . 0.0 111.973 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 145.59 53.79 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.39 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -137.32 57.29 14.11 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -76.17 157.0 38.0 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.871 1.714 . . . . 0.0 112.021 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.81 8.63 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 109.91 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.75 137.81 5.76 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.798 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -154.38 148.26 25.56 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.685 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.46 118.83 24.81 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.946 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 36' ' ' PRO . . . -168.02 167.62 6.57 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.687 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 57.6 Cg_endo -69.85 160.47 49.57 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.086 1.857 . . . . 0.0 111.506 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -66.34 147.61 83.25 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.958 1.772 . . . . 0.0 111.945 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -72.44 149.8 50.85 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.021 1.814 . . . . 0.0 112.649 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.54 149.73 85.27 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.237 1.958 . . . . 0.0 111.807 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.43 -18.47 60.04 Favored 'Trans proline' 0 N--CA 1.504 2.118 0 C-N-CA 122.066 1.844 . . . . 0.0 112.582 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.78 69.33 35.33 Favored Pre-proline 0 CA--C 1.548 0.879 0 O-C-N 123.266 0.354 . . . . 0.0 110.586 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.75 153.96 64.1 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.255 1.97 . . . . 0.0 112.321 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.37 155.8 79.49 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.301 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.68 140.84 84.6 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.177 1.918 . . . . 0.0 112.063 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -71.06 151.5 94.86 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.012 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -72.12 161.32 45.0 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.269 1.979 . . . . 0.0 112.025 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.86 157.84 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -61.01 -44.61 97.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.058 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -117.58 126.1 51.96 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.466 0.479 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -110.6 77.44 1.04 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.187 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -166.88 170.99 11.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.699 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -151.72 103.21 2.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.93 61.41 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.642 0.734 . . . . 0.0 109.409 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.6 mt 59.7 68.94 0.74 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -107.33 40.85 1.6 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.858 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.65 136.84 56.82 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.0 p -118.09 15.41 14.13 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -70.11 135.52 87.15 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 118.944 -0.55 . . . . 0.0 109.811 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.05 -23.2 34.27 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.703 1.602 . . . . 0.0 113.032 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 tp -140.78 142.55 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.215 0.322 . . . . 0.0 111.08 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.87 76.96 77.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.844 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.94 96.94 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.404 2.069 . . . . 0.0 112.517 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.61 156.35 78.79 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.255 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.22 143.34 48.33 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.952 1.768 . . . . 0.0 112.566 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.01 -40.81 96.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.717 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.5 mp -90.92 154.93 45.43 Favored Pre-proline 0 CA--C 1.538 0.518 0 O-C-N 123.547 0.529 . . . . 0.0 110.321 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.99 141.66 93.94 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.144 1.896 . . . . 0.0 111.385 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.54 120.01 6.0 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.74 1.627 . . . . 0.0 112.594 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.49 -38.0 89.51 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.566 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -47.62 155.2 0.4 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 90.5 m -95.18 127.28 41.1 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.6 m -49.36 143.75 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.995 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.4 142.58 44.5 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -162.01 163.99 28.53 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.667 0.27 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.631 HD13 ' OE2' ' A' ' 105' ' ' GLU . 46.4 mm -109.21 -32.67 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.721 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.64 88.04 1.53 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.18 138.85 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.42 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -120.94 134.82 55.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.092 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.6 m -132.5 153.42 81.16 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.306 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.05 164.38 34.55 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.461 2.107 . . . . 0.0 112.197 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 155.66 68.57 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 122.112 1.875 . . . . 0.0 111.848 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -135.24 84.03 36.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.07 148.28 56.29 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.095 1.863 . . . . 0.0 111.898 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.83 -42.35 24.49 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.577 0.548 . . . . 0.0 110.275 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.1 p -172.57 159.92 4.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.672 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.4 62.83 52.23 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 123.057 0.223 . . . . 0.0 110.618 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.61 155.95 31.72 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.387 2.058 . . . . 0.0 112.305 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.4 89.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.37 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -60.5 -38.74 85.3 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.54 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 m -75.43 146.76 81.47 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.28 155.23 30.68 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.134 1.889 . . . . 0.0 112.653 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.8 170.77 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.284 1.989 . . . . 0.0 112.111 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -49.62 135.49 34.03 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.106 1.871 . . . . 0.0 112.525 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.45 -28.87 69.53 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.5 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.74 53.15 13.52 Favored Pre-proline 0 CA--C 1.556 1.186 0 O-C-N 123.258 0.349 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.84 -26.19 22.75 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.058 1.839 . . . . 0.0 112.368 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.523 HG23 ' OD2' ' A' ' 101' ' ' ASP . 12.0 p -148.71 136.52 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -156.03 82.62 1.0 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 58.33 167.27 0.05 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.131 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 52.76 48.84 21.61 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.382 0.61 . . . . 0.0 109.823 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 97' ' ' VAL . 53.7 t0 -137.72 104.04 5.19 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.073 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -70.65 131.2 43.56 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.361 0.413 . . . . 0.0 111.046 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.8 m -82.24 173.07 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.731 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.13 152.1 39.53 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 75' ' ' ILE . 43.3 tp10 -49.33 125.6 11.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.387 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.33 -39.26 78.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 17' ' ' ILE . 65.1 mt -56.55 128.48 36.41 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.285 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 108' ' ' VAL . 18.0 t 35.99 87.89 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 O-C-N 123.809 0.693 . . . . 0.0 111.704 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 168.36 -178.28 42.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 41.9 t 54.65 85.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 120.904 0.383 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 t -64.3 141.19 58.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.12 27.24 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.332 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.16 28.88 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.636 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m 61.33 143.67 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.34 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.36 151.17 27.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.533 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.02 16.11 1.55 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.269 0.355 . . . . 0.0 111.737 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.62 30.81 6.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.715 0.293 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.8 m -140.07 135.52 32.68 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.51 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.348 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -130.59 143.92 51.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -81.63 166.18 47.01 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.7 m -129.84 146.3 51.57 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 21.4 tp -136.69 69.23 1.42 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.307 0.575 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.3 m -146.76 137.81 24.09 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 95.1 p -111.96 -26.57 8.83 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.423 0.452 . . . . 0.0 111.369 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.79 73.78 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.414 0.446 . . . . 0.0 110.16 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tt 22.83 94.44 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.549 -1.205 . . . . 0.0 113.658 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.0 mt -124.75 131.0 53.48 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.845 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.0 ttm -148.57 67.0 9.38 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.04 149.54 46.83 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.241 1.961 . . . . 0.0 112.138 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -142.3 93.48 2.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.887 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 54.25 177.44 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.627 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.6 -45.77 74.29 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 85.0 mt -130.94 159.04 38.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 114.947 -0.626 . . . . 0.0 110.924 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -61.43 -39.23 90.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.639 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 43.6 m80 59.23 38.9 23.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.196 0.522 . . . . 0.0 110.563 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -62.52 139.86 58.61 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.06 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -104.02 145.29 30.37 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.601 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -124.41 137.31 54.47 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.3 p80 -157.65 164.38 37.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 m80 . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.527 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -135.95 142.73 44.62 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.837 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.74 -40.73 97.44 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -114.64 -60.44 1.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.073 0.233 . . . . 0.0 111.299 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -48.61 -36.39 15.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.37 98.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.296 0.373 . . . . 0.0 110.082 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 9' ' ' THR . 70.4 tt0 -130.58 72.61 81.8 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.523 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -85.27 65.76 6.03 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.495 2.13 . . . . 0.0 111.46 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 7' ' ' GLU . 77.2 p -80.4 159.39 25.7 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.956 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 98.5 mtp -59.07 -41.93 89.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.624 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -64.77 -51.6 61.41 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.621 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.25 -48.97 75.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.892 -177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.0 mt -58.8 -44.6 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 107' ' ' LEU . 10.2 tt -57.82 -44.94 86.75 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.15 95.27 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -61.36 -48.37 81.57 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.555 HD11 HD13 ' A' ' 107' ' ' LEU . 39.8 pt -69.82 -23.19 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 123.415 0.447 . . . . 0.0 111.736 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -89.61 43.2 1.13 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.231 0.539 . . . . 0.0 110.213 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -139.96 142.93 36.33 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.909 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm 67.48 122.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.985 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.7 tt -139.66 152.07 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.172 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.1 p -150.59 160.23 43.95 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -152.11 137.27 17.4 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.0 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 56.13 96.96 0.02 OUTLIER 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.093 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.39 -40.85 7.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.7 117.01 67.97 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-O 118.767 -0.635 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.4 -24.32 43.15 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 121.803 1.669 . . . . 0.0 112.166 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.65 35.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -144.09 64.87 13.14 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.35 -30.41 81.03 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.282 1.988 . . . . 0.0 112.584 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.42 141.67 47.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.978 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.25 162.98 38.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.496 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -126.73 92.97 3.65 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.21 149.0 4.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.2 157.91 25.41 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.603 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.18 152.79 63.49 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.412 2.075 . . . . 0.0 111.62 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -66.75 151.51 82.36 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.848 1.698 . . . . 0.0 111.91 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.78 153.61 64.13 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.21 1.94 . . . . 0.0 112.538 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.71 146.87 90.58 Favored 'Trans proline' 0 N--CA 1.501 1.969 0 C-N-CA 122.214 1.942 . . . . 0.0 111.932 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.47 152.26 65.55 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.095 1.864 . . . . 0.0 112.317 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -129.51 77.1 77.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.26 -25.56 71.99 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.189 1.926 . . . . 0.0 112.535 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -62.0 133.64 94.05 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.025 -0.512 . . . . 0.0 109.928 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.5 148.5 60.41 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.892 1.728 . . . . 0.0 112.12 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -74.71 157.11 86.26 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.3 153.73 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.175 1.917 . . . . 0.0 111.949 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -135.68 134.68 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.439 0.462 . . . . 0.0 110.364 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.16 141.7 55.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -64.45 -43.33 94.61 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.444 0.465 . . . . 0.0 110.239 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -93.32 -178.85 4.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.144 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 53.19 60.59 3.65 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.313 0.578 . . . . 0.0 110.715 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -134.24 117.16 16.16 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -128.71 161.79 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.316 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.85 126.43 41.11 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -138.56 114.79 10.29 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.35 138.09 50.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.476 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -150.68 156.94 42.33 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.016 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -74.74 157.58 85.7 Favored Pre-proline 0 CA--C 1.532 0.258 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.54 144.85 96.7 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.682 1.588 . . . . 0.0 112.067 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 60' ' ' ILE . 4.7 mp -113.97 126.98 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -124.59 151.13 66.91 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.44 156.95 53.87 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.392 2.061 . . . . 0.0 112.588 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -127.93 151.34 75.6 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.948 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.93 139.41 36.12 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 122.005 1.803 . . . . 0.0 112.447 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -169.26 147.02 3.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.111 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -102.69 120.69 52.04 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' N ' HD23 ' A' ' 66' ' ' LEU . 55.4 Cg_endo -68.07 152.4 76.54 Favored 'Trans proline' 0 N--CA 1.503 2.043 0 C-N-CA 121.949 1.766 . . . . 0.0 112.185 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.59 111.18 2.27 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.929 1.753 . . . . 0.0 112.388 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.5 mt -145.2 136.06 24.6 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.75 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.81 -34.29 76.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.292 0.37 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m 43.39 78.05 0.06 Allowed 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.135 0.493 . . . . 0.0 111.485 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.93 156.48 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.961 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.59 36.84 0.99 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.86 103.8 5.29 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.546 0.212 . . . . 0.0 110.586 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.44 -44.61 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.8 t0 67.92 139.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.716 HG12 ' HD2' ' A' ' 78' ' ' TYR . 17.9 t -87.54 -62.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.716 ' HD2' HG12 ' A' ' 77' ' ' VAL . 32.8 p90 -170.31 15.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.0 -60.88 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.891 -0.576 . . . . 0.0 112.028 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.71 117.67 4.93 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 121.603 1.535 . . . . 0.0 112.168 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.4 -33.63 13.82 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.794 1.662 . . . . 0.0 112.272 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -71.32 148.37 93.56 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.9 154.82 53.5 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.189 1.926 . . . . 0.0 112.174 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -122.03 123.51 41.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.884 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.2 p -146.49 164.61 31.96 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.563 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.85 73.57 75.85 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 153.23 74.44 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.134 1.889 . . . . 0.0 111.94 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.83 159.67 38.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -63.17 -38.87 92.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.652 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 t -124.74 132.07 24.24 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 118.911 -0.566 . . . . 0.0 109.974 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.35 149.72 69.86 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 121.698 1.598 . . . . 0.0 112.351 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.26 158.35 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.269 1.979 . . . . 0.0 112.311 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.18 155.39 64.65 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.137 1.892 . . . . 0.0 111.83 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.34 133.52 54.4 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.13 72.0 14.64 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.596 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.16 136.6 75.99 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 122.118 1.878 . . . . 0.0 112.151 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.8 t -123.33 -30.93 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -60.88 143.12 55.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.903 0.383 . . . . 0.0 110.897 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.87 72.3 6.55 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 53.58 15.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -69.92 -51.71 30.69 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-O 120.822 0.344 . . . . 0.0 110.597 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -113.0 91.28 3.6 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.431 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.34 152.33 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.744 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.64 ' HA ' HG13 ' A' ' 108' ' ' VAL . . . 50.83 63.64 2.15 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 111.036 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.86 -43.89 81.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -177.97 -36.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.197 0.311 . . . . 0.0 110.997 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 17' ' ' ILE . 67.7 mt -73.41 -46.94 45.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.358 0.599 . . . . 0.0 110.628 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.64 HG13 ' HA ' ' A' ' 104' ' ' ALA . 12.6 p -108.56 159.52 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.513 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 108' ' ' VAL . . . 137.38 24.46 0.43 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.884 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.34 133.15 62.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.3 m -63.63 -43.13 97.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.319 0.387 . . . . 0.0 110.488 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -167.13 158.85 12.48 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.516 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.32 145.09 27.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.357 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.3 p -158.82 163.57 36.55 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.19 154.02 36.07 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.731 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.11 28.04 1.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 123.561 0.538 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.02 128.82 25.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.059 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -160.11 145.21 14.98 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.5 140.28 32.98 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.51 0.506 . . . . 0.0 110.103 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -162.24 159.22 25.44 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -151.98 156.53 26.75 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.6 m -161.16 106.83 1.38 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.15 -45.49 91.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.975 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 81.1 p -116.7 -23.48 8.14 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.724 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.1 m 62.77 38.77 11.51 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.35 0.595 . . . . 0.0 109.434 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.02 135.23 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.7 mt -142.8 141.45 31.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.407 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.82 139.89 45.73 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.388 0.43 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -106.13 149.94 38.75 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.68 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.06 75.32 5.08 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.293 1.996 . . . . 0.0 112.058 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.72 -40.41 94.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -129.37 119.19 23.44 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.782 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -151.21 139.07 6.94 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 134' ' ' LEU . 3.9 tt -177.81 108.17 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -156.65 159.53 38.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.677 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -156.63 162.71 39.85 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -155.02 140.8 18.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -133.19 148.64 52.05 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.504 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -145.53 129.86 17.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.71 138.19 57.8 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.18 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -71.14 164.35 25.79 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.219 0.324 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -78.86 177.44 8.73 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.736 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 52.68 30.34 8.62 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.795 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 m -78.82 116.16 18.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.541 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -83.23 -44.28 15.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.296 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -97.9 -50.73 0.22 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.38 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.3 78.45 3.24 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.696 1.597 . . . . 0.0 111.347 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.1 178.62 6.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.352 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 78.3 mtm -57.35 -39.92 76.95 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.45 0.469 . . . . 0.0 110.389 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HG3' HD11 ' A' ' 75' ' ' ILE . 43.5 tt0 -62.8 -51.18 68.08 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -51.87 -46.85 64.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.744 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.55 -44.51 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.9 -45.28 93.05 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.24 89.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -60.73 -46.95 88.46 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.376 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.57 -45.78 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.511 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 53.17 72.88 0.4 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.184 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -105.65 130.64 53.64 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.1 pt -55.23 141.35 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.541 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.413 HG21 ' O ' ' A' ' 109' ' ' GLY . 76.7 mt -123.8 132.91 70.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.913 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 t -114.07 113.33 24.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.143 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -136.56 139.72 42.39 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.33 -29.64 14.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.426 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.09 23.55 7.2 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.658 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . . . -78.53 117.59 67.28 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.324 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.25 -14.13 20.7 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 122.227 1.952 . . . . 0.0 113.504 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.75 92.84 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.805 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -163.27 61.32 1.03 Allowed Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -61.25 -28.71 85.23 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 121.938 1.758 . . . . 0.0 112.493 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.66 -58.16 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.298 0.374 . . . . 0.0 110.248 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 50.31 20.14 0.62 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.999 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -177.14 176.02 1.44 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.89 148.65 22.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.168 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.23 87.73 51.4 Favored Pre-proline 0 CA--C 1.543 0.702 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.598 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.39 150.36 75.57 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.272 1.981 . . . . 0.0 112.158 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.25 151.09 53.96 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.118 1.879 . . . . 0.0 111.966 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 149.42 51.73 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.223 1.948 . . . . 0.0 112.135 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -68.7 154.14 71.9 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.151 1.901 . . . . 0.0 112.167 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.36 140.12 87.89 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 122.185 1.923 . . . . 0.0 112.256 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.11 62.35 56.25 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.08 150.26 66.03 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.185 1.923 . . . . 0.0 112.153 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 60.87 152.79 0.1 Allowed Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.76 146.79 91.23 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.106 1.871 . . . . 0.0 112.17 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.55 70.06 79.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.057 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -69.94 -17.18 36.92 Favored 'Trans proline' 0 N--CA 1.502 1.995 0 C-N-CA 122.418 2.079 . . . . 0.0 112.995 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 p -127.73 149.22 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.584 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 t 60.52 32.21 20.43 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.048 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -60.76 -47.18 87.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.741 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -56.96 143.84 36.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.078 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -153.58 159.38 42.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.738 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.7 131.03 12.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.78 164.1 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 O-C-N 123.454 0.471 . . . . 0.0 110.981 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -115.43 164.25 14.55 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -146.58 144.94 29.91 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.0 tp -154.33 127.74 8.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.744 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.2 p -131.17 157.46 43.1 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 110.941 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.93 123.26 65.26 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.044 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.97 147.33 73.86 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.8 1.667 . . . . 0.0 112.22 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.7 mt -122.31 132.18 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.715 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.34 60.89 14.84 Favored Pre-proline 0 CA--C 1.551 1.003 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.974 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.19 145.98 62.22 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.96 1.773 . . . . 0.0 112.155 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -73.79 153.66 89.22 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.23 152.06 72.07 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.051 1.834 . . . . 0.0 111.6 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -60.43 -45.38 93.86 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.416 0.448 . . . . 0.0 110.429 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.2 tp -162.61 138.86 5.75 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.49 150.05 78.07 Favored 'Trans proline' 0 N--CA 1.503 2.036 0 C-N-CA 121.979 1.786 . . . . 0.0 111.586 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -51.56 -40.69 63.37 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 121.855 1.703 . . . . 0.0 111.709 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -170.46 -72.53 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.22 132.56 41.65 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.663 0.268 . . . . 0.0 110.451 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 72' ' ' VAL . 6.2 t -124.42 -48.53 1.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.706 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 71' ' ' THR . 59.6 t -126.44 129.01 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.35 147.0 18.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 59.76 74.18 0.45 Allowed 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.404 HD11 ' HG3' ' A' ' 11' ' ' GLU . 90.6 mt -58.56 -50.74 77.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.795 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -172.03 159.85 5.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.037 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.22 155.02 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -118.98 -91.44 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.307 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 78.6 p 39.9 66.06 3.38 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 117.836 0.289 . . . . 0.0 111.423 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.66 107.28 0.17 Allowed 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 121.967 1.778 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.14 124.09 0.7 Allowed 'Trans proline' 0 N--CA 1.49 1.281 0 C-N-CA 122.514 2.142 . . . . 0.0 112.008 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -48.07 -44.09 58.97 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.705 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.89 -44.77 30.95 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 121.503 1.469 . . . . 0.0 112.105 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -127.0 119.37 26.5 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.0 p -158.71 175.66 13.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.267 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -66.66 162.84 47.46 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' THR . 88.2 Cg_exo -49.61 150.01 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.224 1.949 . . . . 0.0 112.196 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.55 86.55 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.301 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -79.18 76.38 5.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.577 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 9.8 t -152.57 140.78 13.61 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.81 148.68 58.81 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.808 1.672 . . . . 0.0 111.729 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -71.57 147.19 51.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.013 1.808 . . . . 0.0 112.061 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.3 -30.83 23.75 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.885 1.723 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.67 35.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.064 0.459 . . . . 0.0 110.775 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 45.41 55.89 14.85 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.183 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.29 138.75 36.83 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.94 1.76 . . . . 0.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.15 -11.03 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.008 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 57.54 101.09 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -151.42 97.26 2.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.119 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 54.66 54.04 9.77 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.653 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.72 -59.0 6.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 44.31 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.27 136.22 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.13 93.47 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.895 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -167.03 147.35 5.57 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.576 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -140.33 50.98 1.68 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.205 0.526 . . . . 0.0 110.621 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 85.1 mt -72.47 149.79 43.87 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.68 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -130.96 146.09 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.499 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' O ' HG21 ' A' ' 21' ' ' ILE . . . -160.29 -176.44 32.39 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.688 ' CG1' ' HB1' ' A' ' 26' ' ' ALA . 62.9 t -115.41 122.75 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.6 p -123.46 -35.25 2.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.839 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -154.93 155.53 34.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.366 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.697 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . . . -156.46 158.63 37.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.1 t -156.65 59.29 0.55 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.429 0.633 . . . . 0.0 110.793 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.86 157.55 36.56 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.017 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.07 39.64 2.52 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.707 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.28 11.02 27.24 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.909 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.3 p -159.72 158.62 31.65 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.21 175.9 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -62.46 168.49 3.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 176.32 179.44 46.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -123.16 144.27 49.46 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.642 0.258 . . . . 0.0 110.771 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 124' ' ' SER . 0.3 OUTLIER -149.17 127.26 11.99 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.297 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.537 ' N ' HD13 ' A' ' 123' ' ' LEU . 66.3 m -139.22 119.69 13.94 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.0 m -100.24 6.98 44.75 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.34 0.4 . . . . 0.0 111.943 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.09 151.1 44.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.59 0.233 . . . . 0.0 110.741 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.4 tp -152.81 -38.95 0.1 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.601 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.0 mp 58.45 16.73 4.35 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.669 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 96.7 mtp -135.98 152.24 75.26 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-O 119.364 -0.35 . . . . 0.0 110.481 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.24 144.99 47.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.031 1.821 . . . . 0.0 111.599 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -90.02 -54.71 3.92 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.67 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -129.75 157.51 41.97 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.86 -131.44 6.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.01 138.68 54.02 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.625 0.25 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -127.3 129.04 46.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.091 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -61.23 -43.5 98.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.6 t60 58.69 53.78 5.75 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -153.48 141.83 20.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.267 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -131.16 143.73 50.84 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.285 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.54 -46.59 89.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.76 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.247 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -158.45 165.06 35.55 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.07 -39.08 88.53 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.567 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -116.51 127.78 54.86 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.686 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -137.49 125.89 23.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.339 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -146.17 -38.87 0.23 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.214 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -92.16 -41.95 0.36 Allowed Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.57 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -46.73 130.24 15.13 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 121.854 1.702 . . . . 0.0 113.353 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -73.83 174.45 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.93 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.9 mmt -62.72 -36.76 84.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -51.91 -56.72 12.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.83 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -57.26 -39.36 75.46 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.834 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.48 -41.79 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.5 tt -59.26 -38.78 80.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.25 93.17 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.55 -42.94 89.03 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.865 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.74 -39.74 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.086 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HE ' HG23 ' A' ' 21' ' ' ILE . 55.5 ttt85 -34.43 95.39 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.75 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -93.58 132.25 38.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.354 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 87.6 mt 58.34 100.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG23 ' HE ' ' A' ' 18' ' ' ARG . 73.4 mt -99.88 -56.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.923 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -124.08 -64.78 1.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.262 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 57.7 34.1 24.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.001 0.429 . . . . 0.0 110.378 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -132.07 44.81 2.85 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.058 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.23 86.57 2.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.725 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.64 147.03 98.13 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.307 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.02 149.66 59.23 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.142 1.894 . . . . 0.0 112.355 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 25.3 11.93 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.09 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.52 63.07 11.95 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.47 142.63 58.27 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.816 1.677 . . . . 0.0 112.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.15 158.78 43.41 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.467 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.14 150.3 37.86 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -139.46 162.78 34.21 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.93 137.05 47.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.952 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.66 162.5 56.72 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.083 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -57.22 153.05 41.82 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.465 2.11 . . . . 0.0 111.904 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.0 145.0 54.53 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 122.205 1.937 . . . . 0.0 112.38 -179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.73 160.27 49.96 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.379 2.053 . . . . 0.0 112.436 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.56 145.26 81.65 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 122.231 1.954 . . . . 0.0 111.835 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.1 140.31 86.66 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.002 1.801 . . . . 0.0 112.462 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -123.48 92.41 48.82 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.979 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.74 149.86 73.56 Favored 'Trans proline' 0 N--CA 1.501 1.913 0 C-N-CA 121.977 1.785 . . . . 0.0 112.232 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -141.89 157.55 64.13 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.578 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.06 158.12 57.61 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.077 1.851 . . . . 0.0 111.92 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -58.44 136.07 85.54 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.027 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.75 151.37 69.13 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 121.969 1.779 . . . . 0.0 112.382 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -110.93 13.1 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.831 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.9 t 58.89 53.59 5.63 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.588 0.709 . . . . 0.0 110.161 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -138.0 123.61 19.75 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -88.12 -178.35 5.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.466 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.01 -63.63 1.06 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.434 0.459 . . . . 0.0 109.797 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -141.34 -63.69 0.45 Allowed 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 p -159.92 142.59 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -120.13 149.12 42.73 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 178.53 -68.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.33 27.9 4.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.813 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 71.1 p -110.08 2.87 19.78 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -72.32 144.13 86.52 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-O 119.188 -0.434 . . . . 0.0 109.965 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.66 151.82 47.16 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.914 1.742 . . . . 0.0 112.387 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.15 92.31 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.269 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 48.97 62.12 12.81 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.479 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.66 149.87 80.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.303 2.002 . . . . 0.0 112.39 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -126.52 84.51 62.25 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.736 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -58.8 144.48 98.34 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 122.493 2.128 . . . . 0.0 112.753 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -74.93 153.83 38.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.4 mp -100.1 158.69 31.57 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -58.06 148.75 75.57 Favored 'Trans proline' 0 N--CA 1.502 2.023 0 C-N-CA 122.23 1.953 . . . . 0.0 112.269 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.18 161.71 44.96 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.29 1.993 . . . . 0.0 112.284 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -117.7 146.85 43.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.277 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 53.75 179.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.567 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.3 m -128.01 127.37 43.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.969 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.07 157.53 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.438 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.48 106.38 0.31 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -112.33 103.33 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' ILE . 16.8 tt -89.81 84.69 2.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 109.913 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -79.93 169.59 17.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.966 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.69 105.65 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.786 0.327 . . . . 0.0 110.848 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -140.62 128.84 22.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.407 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 52.68 75.88 0.59 Allowed Pre-proline 0 CA--C 1.547 0.863 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.78 157.3 60.82 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.294 1.996 . . . . 0.0 112.179 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.11 147.59 74.6 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.101 1.867 . . . . 0.0 112.051 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -151.99 -62.91 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.116 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.9 158.77 45.94 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 121.982 1.788 . . . . 0.0 111.71 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.51 131.49 37.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.69 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -163.29 141.32 7.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.224 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -141.53 72.74 25.22 Favored Pre-proline 0 CA--C 1.548 0.893 0 O-C-N 123.183 0.302 . . . . 0.0 110.786 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.33 149.72 51.38 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.124 1.883 . . . . 0.0 111.7 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.97 145.14 20.65 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.363 0.414 . . . . 0.0 111.251 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -134.75 146.72 49.65 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.882 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.2 m -110.25 103.2 53.39 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.131 -0.462 . . . . 0.0 110.4 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.05 149.47 84.34 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.166 1.911 . . . . 0.0 111.808 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.74 153.36 69.1 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.101 1.868 . . . . 0.0 111.786 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.27 148.03 67.36 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.016 1.811 . . . . 0.0 112.221 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -136.63 -48.6 0.63 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -169.1 160.13 7.82 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.132 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.75 74.85 4.23 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 122.237 1.958 . . . . 0.0 112.042 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.9 122.58 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.648 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -145.64 126.67 14.6 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.772 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.83 163.48 12.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -64.44 96.74 0.17 Allowed 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -125.71 103.2 7.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.96 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mp0 -96.19 -46.55 6.41 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.293 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.2 132.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.409 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.74 91.54 3.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -154.85 138.88 16.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.354 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -144.92 46.3 1.35 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.232 0.539 . . . . 0.0 110.586 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 14' ' ' LEU . 74.8 mt -66.57 118.85 10.75 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.25 -33.28 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.376 0.422 . . . . 0.0 110.961 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.78 -127.86 9.14 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.95 167.03 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.665 0.269 . . . . 0.0 110.681 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.9 p -158.42 161.46 37.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.61 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.44 -64.38 0.88 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.24 30.69 1.51 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.1 t -165.73 -179.36 5.29 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.695 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.2 138.8 42.26 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -138.87 -32.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.57 0.544 . . . . 0.0 111.121 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 63.73 66.53 0.67 Allowed 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.438 0.637 . . . . 0.0 110.38 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.4 p -157.76 158.54 35.47 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.953 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.17 142.94 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.352 0.408 . . . . 0.0 110.88 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -108.25 132.21 53.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -168.38 164.35 37.95 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.8 p -155.42 165.4 36.72 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.691 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.16 146.65 52.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.368 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.2 m -143.51 149.41 37.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.2 m -125.73 122.2 35.59 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.12 -41.4 90.57 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.534 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.26 122.45 16.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 77.5 mt -120.41 151.79 38.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.9 ttm -126.21 84.93 60.74 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.122 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.93 160.3 43.42 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.39 2.06 . . . . 0.0 112.457 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.24 -41.24 92.75 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.918 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.56 103.49 7.36 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.627 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -69.28 136.72 28.63 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 17.4 tp -146.29 -47.72 0.2 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.508 -0.346 . . . . 0.0 110.559 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.78 93.33 0.02 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.62 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -110.46 118.72 37.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.78 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.42 147.64 47.71 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.611 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -65.83 -21.33 66.47 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.74 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -65.54 138.39 58.03 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -156.69 163.87 38.8 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.95 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.782 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tmm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -135.04 145.89 48.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.172 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -98.64 99.66 10.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.661 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -138.2 13.14 2.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.297 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -158.86 157.15 30.95 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.43 -40.38 97.01 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.495 0.497 . . . . 0.0 110.962 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -98.83 148.14 34.16 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-O 118.944 -0.551 . . . . 0.0 110.411 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.22 124.62 15.58 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 121.517 1.478 . . . . 0.0 111.628 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.2 m -70.16 138.61 52.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.29 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.406 ' O ' HD11 ' A' ' 75' ' ' ILE . 65.2 mtt -70.25 -39.62 74.89 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 111.109 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.23 -41.43 96.85 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.829 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.37 -39.8 91.98 Favored 'General case' 0 C--N 1.335 -0.043 0 O-C-N 123.273 0.358 . . . . 0.0 111.258 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.7 -48.53 88.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.06 -47.13 87.14 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.54 88.28 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.09 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -60.24 -39.05 85.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.184 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 32' ' ' ALA . 17.8 tt -94.5 -17.35 7.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.104 0.253 . . . . 0.0 111.55 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.02 85.14 1.28 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 110.18 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -60.63 -46.96 88.32 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.413 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -159.85 153.25 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-O 120.84 0.352 . . . . 0.0 111.701 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.07 -10.48 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.399 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.0 t -65.63 142.2 58.14 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.669 0.271 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -45.35 145.11 1.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.08 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.88 52.85 1.55 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -66.95 -40.37 87.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.837 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.43 148.21 98.71 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-O 119.154 -0.451 . . . . 0.0 110.131 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.8 139.33 88.65 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.944 1.763 . . . . 0.0 112.354 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.44 145.92 50.68 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' H ' ' HD2' ' A' ' 30' ' ' PRO . 16.4 mt-10 -155.27 -60.69 0.02 OUTLIER Pre-proline 0 C--O 1.235 0.314 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD2' ' H ' ' A' ' 29' ' ' GLU . 81.6 Cg_endo -75.34 146.78 31.86 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 121.4 1.4 . . . . 0.0 112.376 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.88 20.64 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.531 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' HD12 ' A' ' 17' ' ' ILE . . . -151.57 72.53 1.04 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.258 0.551 . . . . 0.0 110.565 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -149.43 141.35 23.77 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.43 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -140.18 134.52 31.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.97 158.84 72.08 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.923 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.33 149.72 71.88 Favored 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.355 2.037 . . . . 0.0 111.852 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.67 151.81 74.65 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.004 1.803 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -71.42 154.85 60.62 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 122.188 1.925 . . . . 0.0 112.428 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.99 157.31 58.35 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.134 1.889 . . . . 0.0 112.039 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.17 149.65 70.91 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.159 1.906 . . . . 0.0 112.103 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -65.89 126.35 91.62 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.287 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.99 142.35 96.64 Favored 'Trans proline' 0 N--CA 1.505 2.148 0 C-N-CA 121.861 1.707 . . . . 0.0 111.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.4 156.16 67.21 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.57 -28.16 69.87 Favored 'Trans proline' 0 N--CA 1.503 2.031 0 C-N-CA 121.928 1.752 . . . . 0.0 112.18 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.9 150.5 90.51 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.304 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.95 147.51 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.009 1.806 . . . . 0.0 111.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.6 -46.79 13.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.832 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.3 p -155.2 165.04 37.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -129.19 -34.6 1.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.92 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.23 169.94 0.24 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -88.69 -43.94 10.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.66 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -148.59 150.01 32.55 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 90' ' ' THR . 12.2 p -130.14 145.03 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -139.57 84.12 1.97 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.246 0.546 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.05 -39.86 95.02 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.22 137.37 37.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.4 p -108.64 19.41 19.76 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.579 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.22 148.32 98.27 Favored Pre-proline 0 C--O 1.236 0.393 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.37 -24.72 36.71 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.74 1.626 . . . . 0.0 113.006 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.4 pt -130.79 156.18 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.784 0.326 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB3' ' HD3' ' A' ' 62' ' ' PRO . . . -174.6 -58.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.108 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 61' ' ' ALA . 68.9 Cg_endo -71.42 150.79 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.026 1.817 . . . . 0.0 112.566 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.53 150.39 91.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.101 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -59.76 87.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.84 1.693 . . . . 0.0 112.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.79 -38.24 83.08 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.233 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.13 -54.24 57.72 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.545 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.72 157.94 54.4 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.012 1.808 . . . . 0.0 112.266 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.06 157.08 60.98 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.254 1.969 . . . . 0.0 111.706 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.44 107.27 19.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.285 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -74.46 140.76 44.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.539 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 74' ' ' ASP . 5.4 m 71.17 96.42 0.07 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.34 -40.11 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.999 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.04 -40.44 95.56 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 71' ' ' THR . 21.2 t0 59.32 62.59 1.76 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.613 0.72 . . . . 0.0 109.175 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.643 HD12 HD13 ' A' ' 107' ' ' LEU . 20.2 tt -57.65 -36.32 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.043 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -158.22 165.2 35.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.777 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.4 129.82 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.671 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -144.15 117.7 9.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.65 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.5 m -128.26 153.18 78.84 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.121 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.26 166.01 31.1 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.538 2.159 . . . . 0.0 112.146 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -50.7 -36.34 50.66 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 122.149 1.9 . . . . 0.0 111.739 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 51.87 62.28 11.05 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.14 -21.26 42.66 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 122.247 1.965 . . . . 0.0 112.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -138.86 135.06 34.11 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.8 m -151.62 133.88 15.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.749 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -71.03 149.87 94.81 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.123 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.67 139.24 87.81 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.043 1.828 . . . . 0.0 112.213 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.21 142.67 30.13 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.316 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -63.38 -42.95 98.85 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.364 0.415 . . . . 0.0 110.476 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' VAL . 77.7 p -152.78 152.12 27.89 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.543 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.92 148.27 35.46 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.211 1.941 . . . . 0.0 111.904 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.77 141.84 27.86 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.882 1.722 . . . . 0.0 111.819 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.55 140.79 24.37 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.845 1.697 . . . . 0.0 112.13 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -166.16 149.05 7.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.646 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . . . -167.14 -55.32 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 95' ' ' ALA . 49.2 Cg_exo -57.11 126.34 21.83 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 C-N-CA 121.499 1.466 . . . . 0.0 112.269 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.67 -46.02 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -153.74 125.33 7.62 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.969 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -95.39 162.42 13.67 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.328 0.392 . . . . 0.0 110.083 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -81.28 54.41 2.28 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.599 0.714 . . . . 0.0 109.981 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.56 139.03 48.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.148 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -141.74 147.46 37.42 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.0 m -140.6 158.43 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.34 99.96 8.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.178 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -48.2 142.78 5.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.556 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -124.07 34.22 5.1 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.312 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.643 HD13 HD12 ' A' ' 75' ' ' ILE . 85.2 mt -82.07 -176.36 6.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.88 156.23 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.631 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -84.04 168.57 45.13 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.3 t 56.97 99.26 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.4 m -71.13 178.85 3.07 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.246 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -142.35 -74.51 0.29 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.145 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.0 55.02 2.63 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.564 0.697 . . . . 0.0 110.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.1 p -69.98 162.8 27.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.73 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.9 155.91 39.06 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -165.82 60.77 0.11 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 111.068 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.71 -67.2 0.78 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -172.93 -62.06 0.02 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.172 0.295 . . . . 0.0 110.426 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . 54.64 -178.48 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.289 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 61.68 83.03 0.16 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.622 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -75.36 176.42 50.14 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -149.72 149.18 30.19 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.665 0.269 . . . . 0.0 110.792 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 tp 60.87 112.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.8 m -122.56 -62.0 1.41 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.099 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.0 t -158.19 149.7 21.31 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.231 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.91 175.83 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.546 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.1 tp -174.63 62.29 0.02 OUTLIER 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.75 126.08 42.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.446 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.8 mmm -130.32 72.91 81.73 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.146 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.17 148.47 62.45 Favored 'Trans proline' 0 N--CA 1.503 2.078 0 C-N-CA 122.112 1.875 . . . . 0.0 112.396 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.59 -24.89 62.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.708 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.2 146.03 54.98 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.799 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 133.91 66.48 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.499 ' N ' HD12 ' A' ' 134' ' ' LEU . 7.4 mp -63.01 -40.31 97.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.593 0.235 . . . . 0.0 110.382 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.77 36.26 25.97 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -130.67 107.98 9.57 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.096 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -118.53 19.41 13.31 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.698 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -93.83 133.63 37.02 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.6 0.238 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -157.16 159.79 38.12 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.933 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -65.33 -39.76 92.82 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.242 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.555 -179.698 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -119.22 149.58 41.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.84 -41.56 96.04 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -58.23 -44.36 88.2 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.975 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m 51.72 59.19 4.74 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.11 0.481 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -93.83 -39.06 10.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.868 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -132.07 66.29 77.17 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.444 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.84 114.38 4.01 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.895 1.73 . . . . 0.0 112.27 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.4 m -74.16 137.98 43.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -48.57 -44.33 36.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.212 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -63.91 -46.33 85.3 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.328 0.585 . . . . 0.0 109.425 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.21 -39.97 84.33 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.89 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HA ' ' A' ' 105' ' ' GLU . 4.3 tt -59.97 -47.23 86.67 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.277 0.561 . . . . 0.0 110.384 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.58 -39.81 95.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.725 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.2 t -54.27 -63.57 1.11 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.245 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.4 mt -150.22 67.46 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 118.6 0.637 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -144.64 23.46 1.59 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.618 0.247 . . . . 0.0 110.881 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -78.19 -24.17 47.26 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.576 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.3 mt -74.38 129.67 36.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.028 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.5 tt -135.85 142.18 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.962 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.4 m -160.03 98.19 1.31 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.86 -41.41 74.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.911 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 179.64 8.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.561 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -99.78 -40.81 7.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.68 154.86 71.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.777 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.03 62.29 8.49 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.167 1.911 . . . . 0.0 111.781 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.64 95.31 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.82 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -163.39 66.43 1.57 Allowed Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -59.6 140.02 91.79 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.026 1.817 . . . . 0.0 111.493 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.3 149.29 17.2 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.728 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.57 148.7 21.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.256 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -138.47 91.51 2.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.81 137.36 32.48 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.206 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.22 155.32 39.8 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.197 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -72.0 157.11 55.22 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.319 2.012 . . . . 0.0 111.934 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -70.21 153.29 66.98 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.024 1.816 . . . . 0.0 112.048 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.95 154.25 63.12 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 122.161 1.907 . . . . 0.0 112.398 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -70.95 157.37 58.24 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.307 2.005 . . . . 0.0 112.055 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.26 147.44 66.1 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.08 1.853 . . . . 0.0 112.08 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -126.71 102.66 25.29 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.179 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.34 151.25 71.45 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 121.826 1.684 . . . . 0.0 111.813 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -129.51 71.3 82.1 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.762 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.14 145.64 97.07 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.15 1.9 . . . . 0.0 111.726 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -130.34 74.62 80.14 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.74 154.08 48.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.257 1.971 . . . . 0.0 112.076 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.21 154.43 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.407 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.5 t -171.47 -50.77 0.02 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -65.43 -36.46 83.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.316 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -89.4 177.11 6.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.787 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t70 51.62 39.6 25.37 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.819 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -170.46 47.45 0.03 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.544 0.688 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.67 119.42 57.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.505 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -122.59 146.25 47.61 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.564 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 64.46 101.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.349 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.0 mt -110.71 150.48 29.0 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.716 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -64.27 -34.31 77.82 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.211 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -80.85 151.36 70.71 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -67.83 -19.23 47.07 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.902 1.735 . . . . 0.0 112.769 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 tt -109.16 152.61 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.971 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.38 84.32 60.06 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -72.35 159.18 50.04 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.492 2.128 . . . . 0.0 111.603 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -127.9 156.62 75.68 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.711 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -58.28 143.52 97.12 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.208 1.939 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.47 165.1 24.29 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.5 mt 52.01 65.02 6.8 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.112 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.92 148.61 66.46 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 122.426 2.084 . . . . 0.0 112.384 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.14 161.75 44.81 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.255 1.97 . . . . 0.0 112.061 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.58 145.19 47.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.955 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -68.28 -38.94 82.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.559 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -150.83 160.03 44.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.96 158.36 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.038 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.25 125.12 31.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -166.99 157.53 11.66 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.66 -43.46 90.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -149.13 179.77 7.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.383 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 72.7 t -61.15 -42.58 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.5 t80 45.48 91.62 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t -67.27 121.82 80.26 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.12 160.74 44.87 Favored 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 121.98 1.787 . . . . 0.0 112.02 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -57.28 147.98 73.49 Favored 'Trans proline' 0 N--CA 1.501 1.965 0 C-N-CA 122.247 1.965 . . . . 0.0 111.741 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.14 54.52 15.94 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.133 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 -45.22 0.43 Allowed 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 121.784 1.656 . . . . 0.0 111.628 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 59.91 146.25 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -61.93 -33.48 74.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.741 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -130.26 82.81 64.73 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.825 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.16 150.7 60.17 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.178 1.919 . . . . 0.0 112.337 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.56 -36.88 0.95 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.595 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -129.04 149.11 50.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.272 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.0 p -146.34 155.65 49.96 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.68 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.39 155.22 55.76 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.259 1.973 . . . . 0.0 112.261 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.75 152.29 64.07 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.135 1.89 . . . . 0.0 112.156 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.2 141.45 96.63 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.189 1.926 . . . . 0.0 112.57 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.54 117.36 1.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.886 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.46 65.72 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.625 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.3 163.11 12.88 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.221 1.947 . . . . 0.0 111.516 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.5 t -57.12 132.15 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -75.28 154.01 37.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.39 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -169.4 168.05 9.71 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.276 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 115' ' ' ALA . 44.1 ttm180 -50.73 -62.22 1.73 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.21 0.319 . . . . 0.0 111.082 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.16 143.08 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.504 0.502 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.96 -56.14 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 103' ' ' VAL . 27.3 m -51.93 121.68 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.749 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.73 142.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.244 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.496 ' HA ' HD22 ' A' ' 14' ' ' LEU . 8.3 tt0 -82.77 52.33 2.1 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.4 0.619 . . . . 0.0 109.982 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -117.45 -16.67 10.2 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.875 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 107' ' ' LEU . 4.3 tt 41.53 84.51 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.057 0.456 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 110' ' ' VAL . 35.4 m -109.52 -12.58 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.682 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.0 64.1 1.19 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.422 HG23 HG23 ' A' ' 108' ' ' VAL . 50.3 t -97.92 -57.92 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.7 p -77.2 166.11 23.65 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.163 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.67 114.36 5.31 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.418 0.449 . . . . 0.0 110.569 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 100' ' ' ARG . . . -163.57 150.0 11.87 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.568 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.5 t -70.89 137.64 49.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.261 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB2' HH21 ' A' ' 100' ' ' ARG . . . -156.24 159.36 38.84 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.03 20.9 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.67 148.81 31.45 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.371 0.419 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -148.11 147.54 29.62 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.09 147.13 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.501 0.5 . . . . 0.0 110.789 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.8 132.09 49.83 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.826 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.55 47.14 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.0 p -156.9 162.4 39.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.533 0.206 . . . . 0.0 110.464 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 123' ' ' LEU . 1.3 pt? -156.02 148.83 24.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.872 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -147.02 153.14 39.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.2 t -126.17 -165.81 1.49 Allowed 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 123.558 0.536 . . . . 0.0 109.825 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.89 153.57 33.3 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.48 0.181 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -140.18 125.11 18.42 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.706 179.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.545 ' N ' HD13 ' A' ' 127' ' ' LEU . 76.2 mt -114.1 147.25 39.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 76.9 mtm -127.62 153.88 77.67 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.76 155.57 62.38 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.247 1.965 . . . . 0.0 112.208 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -60.2 133.54 56.2 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.263 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.53 101.43 13.61 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.73 -179.47 47.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.47 101.59 0.34 Allowed 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.29 131.09 42.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.024 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.94 -45.09 96.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.17 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -62.51 -40.08 95.58 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.132 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.79 138.02 58.13 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.46 0.475 . . . . 0.0 110.394 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -151.49 136.05 17.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -60.21 -48.7 80.64 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.265 0.353 . . . . 0.0 110.768 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 72.4 t60 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.304 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -62.98 -41.08 99.46 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.564 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -153.43 -35.72 0.11 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -173.92 -65.1 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p 47.08 -172.18 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.405 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -95.49 -23.91 16.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -59.27 163.76 5.8 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.374 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.69 166.27 0.89 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.614 1.543 . . . . 0.0 110.14 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -76.49 169.9 17.39 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.8 ptm -54.24 -38.53 65.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.924 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.92 -50.6 70.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -58.85 -49.61 77.09 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.475 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.432 HD12 ' HG ' ' A' ' 107' ' ' LEU . 40.8 pt -59.05 -35.09 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.168 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.09 -38.09 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.295 0.372 . . . . 0.0 110.882 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 75' ' ' ILE . . . -62.21 -42.42 99.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.693 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.6 m -64.84 -41.77 95.46 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.975 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mm -67.22 -43.0 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.338 . . . . 0.0 110.858 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 55.79 86.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -152.32 142.93 22.78 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.852 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.69 131.13 66.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.755 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.5 mt -106.0 -44.34 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.694 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.2 m -57.45 -45.8 84.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.378 0.424 . . . . 0.0 111.544 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -118.29 132.18 56.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 49.63 92.44 0.02 OUTLIER 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -80.65 87.12 5.81 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.185 0.517 . . . . 0.0 110.625 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.92 155.17 84.26 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.573 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.99 144.63 78.14 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.303 2.002 . . . . 0.0 112.303 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.8 159.5 41.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.572 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -151.71 64.43 5.89 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.21 157.37 53.96 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.16 1.907 . . . . 0.0 112.368 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.2 149.97 23.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . . . -160.84 87.43 0.74 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.661 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 127.04 11.97 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.394 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.3 142.48 21.44 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.566 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.89 77.58 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.167 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.61 163.16 38.11 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.447 2.098 . . . . 0.0 112.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.54 154.62 71.27 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.905 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 143.94 88.06 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.209 1.939 . . . . 0.0 112.368 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -58.88 149.15 80.44 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.207 1.938 . . . . 0.0 112.053 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.2 -23.65 72.74 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.09 1.86 . . . . 0.0 112.595 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 51.58 61.65 12.31 Favored Pre-proline 0 CA--C 1.551 0.997 0 O-C-N 123.215 0.322 . . . . 0.0 110.8 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.74 -22.38 69.59 Favored 'Trans proline' 0 N--CA 1.502 2.013 0 C-N-CA 122.251 1.967 . . . . 0.0 112.651 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.61 152.68 96.17 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.613 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.06 156.89 61.5 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.229 1.952 . . . . 0.0 112.271 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.65 150.55 97.77 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.614 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.48 152.38 54.4 Favored 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.237 1.958 . . . . 0.0 111.974 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.05 -29.57 37.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.315 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.7 m -60.07 141.52 55.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.559 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -86.13 79.88 8.98 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.694 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -73.63 177.91 5.08 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.721 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.36 -41.77 98.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.073 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -174.09 163.75 3.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -102.41 16.51 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.771 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -123.49 127.23 48.08 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -89.04 126.48 35.45 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.591 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.5 tp -153.44 120.51 5.76 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.157 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 58' ' ' ASP . 8.8 t -109.48 -48.76 3.19 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 57' ' ' THR . 37.3 p-10 -91.5 147.71 35.88 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.201 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.92 71.65 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.868 2.379 . . . . 0.0 112.027 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 61' ' ' ALA . 31.4 mm 61.41 163.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 60' ' ' ILE . . . -131.15 154.13 81.91 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-O 119.534 -0.27 . . . . 0.0 111.033 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.88 151.44 71.33 Favored 'Trans proline' 0 N--CA 1.503 2.069 0 C-N-CA 122.386 2.058 . . . . 0.0 112.186 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.36 155.68 90.23 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.643 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.68 149.85 55.56 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.249 1.966 . . . . 0.0 113.044 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -153.74 127.99 9.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.775 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.29 154.71 81.17 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 123.284 0.365 . . . . 0.0 111.337 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.94 154.95 47.02 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 122.517 2.145 . . . . 0.0 112.005 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.13 146.04 50.87 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.316 2.011 . . . . 0.0 111.684 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.6 tp -56.99 -48.63 77.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.743 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.85 132.75 0.55 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.246 0.341 . . . . 0.0 111.411 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 HG13 ' A' ' 72' ' ' VAL . 18.6 m -122.46 -65.11 1.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.271 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 71' ' ' THR . 35.7 m -135.97 161.37 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.771 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.97 -178.37 51.03 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -163.35 169.22 19.34 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 15' ' ' ALA . 87.5 mt -83.01 -49.96 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -157.81 170.61 21.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.923 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -113.29 -178.69 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.386 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.03 72.56 1.1 Allowed 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 110.417 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.2 m -62.3 -45.23 90.11 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.098 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -59.01 145.3 98.08 Favored 'Trans proline' 0 N--CA 1.504 2.139 0 C-N-CA 121.958 1.772 . . . . 0.0 112.638 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.19 -26.14 74.93 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.444 2.096 . . . . 0.0 112.562 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 31.02 57.58 0.98 Allowed Pre-proline 0 CA--C 1.558 1.257 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.43 -42.97 3.24 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.568 1.512 . . . . 0.0 111.26 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -154.83 156.3 35.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.123 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.0 p -155.5 173.11 17.16 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.444 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -128.99 77.17 78.36 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.98 156.13 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 122.314 2.009 . . . . 0.0 112.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.06 147.78 52.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.048 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -53.86 133.7 42.71 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.711 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.5 m -126.39 146.74 57.47 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.991 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -59.31 156.94 32.81 Favored 'Trans proline' 0 N--CA 1.502 2.011 0 C-N-CA 122.187 1.925 . . . . 0.0 112.015 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HG2' ' HB2' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -64.38 157.93 51.9 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.226 1.951 . . . . 0.0 111.8 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -60.25 -27.68 85.37 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.065 1.843 . . . . 0.0 112.564 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.84 126.81 19.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.95 0.405 . . . . 0.0 110.977 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . . . -155.91 159.48 31.52 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.623 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 130.39 40.33 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 121.806 1.671 . . . . 0.0 111.982 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.4 m -141.61 158.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -64.22 -41.89 96.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -133.27 156.29 47.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.774 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -43.79 -68.55 0.19 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.423 0.452 . . . . 0.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.87 44.32 7.74 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 120.828 0.347 . . . . 0.0 111.807 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.85 -47.63 85.48 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.535 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 p -172.95 130.91 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.55 86.81 1.76 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.932 0.396 . . . . 0.0 111.629 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.53 117.71 9.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.435 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -136.18 138.94 42.45 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.304 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HG ' HD12 ' A' ' 13' ' ' ILE . 4.2 tt -123.2 -44.56 2.15 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.128 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 32' ' ' ALA . 11.5 p -121.37 125.71 74.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.783 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.18 177.43 49.87 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 157.32 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -129.93 147.38 51.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.06 149.23 33.69 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -152.08 154.12 35.3 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.1 t -147.32 144.15 28.56 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.647 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.16 149.19 25.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.795 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.92 103.23 3.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 123.553 0.533 . . . . 0.0 109.991 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -92.39 143.15 26.66 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.2 p -125.14 10.8 8.15 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.954 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.35 140.5 43.09 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 120.455 0.169 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -161.67 157.65 24.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.842 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.6 173.52 24.48 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -60.92 -46.47 90.53 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.0 tp -157.62 116.63 3.25 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.947 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.7 p -165.32 16.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.511 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.1 t 177.25 -70.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.903 0.127 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -171.72 175.81 3.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.598 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -139.69 137.16 34.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.189 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 127' ' ' LEU . 7.0 mp -122.15 138.25 54.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.55 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -72.97 155.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.221 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.89 140.29 78.73 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 122.161 1.907 . . . . 0.0 111.777 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -117.56 131.43 56.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.146 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -103.06 31.19 4.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.129 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.39 80.57 1.8 Allowed Glycine 0 C--N 1.336 0.551 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.92 152.73 32.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.251 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -71.8 133.9 45.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -79.29 -56.62 4.21 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -162.86 150.89 13.86 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.865 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -115.45 135.74 53.8 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.574 0.546 . . . . 0.0 110.501 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -109.37 119.53 39.74 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.216 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -95.52 108.25 20.48 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 55.1 m80 . . . . . 0 C--O 1.222 -0.356 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.635 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mmm . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -117.67 153.61 33.04 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.03 69.72 10.24 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.451 0.643 . . . . 0.0 110.88 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -107.64 -43.64 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -152.73 150.37 29.34 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.612 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -67.39 -30.54 70.34 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 123.078 0.236 . . . . 0.0 111.038 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.51 149.74 88.77 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.049 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.64 118.2 5.23 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.659 1.572 . . . . 0.0 111.96 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.8 p -98.81 141.89 31.03 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.186 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 61.7 mtt -53.81 -28.56 36.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.964 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -61.97 -45.93 91.51 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.51 -51.75 68.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.093 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.551 HG12 HD12 ' A' ' 107' ' ' LEU . 15.1 tt -57.62 -37.6 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.73 -39.78 94.22 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.878 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 75' ' ' ILE . . . -60.45 -39.82 88.92 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.749 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HB3' HG12 ' A' ' 108' ' ' VAL . 60.8 m -61.8 -45.04 95.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.236 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 107' ' ' LEU . 66.3 mt -155.81 80.94 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -45.49 139.44 3.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -157.04 137.65 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 pt -109.9 -16.72 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.715 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 21' ' ' ILE . 71.4 mt 49.49 65.58 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 121.128 0.489 . . . . 0.0 110.406 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 99.6 p -138.55 17.64 2.72 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.487 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 48.94 24.65 0.89 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 111.29 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -84.3 73.18 10.49 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.227 0.537 . . . . 0.0 110.524 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -90.27 84.65 6.08 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.72 157.85 83.55 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.529 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -62.53 -26.3 76.08 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.004 1.803 . . . . 0.0 111.872 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.01 149.79 29.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.146 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -157.72 57.78 1.32 Allowed Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.31 148.79 44.17 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.02 1.814 . . . . 0.0 112.301 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.67 128.01 32.21 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.038 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.37 153.72 27.74 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -128.57 144.04 51.08 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.557 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.25 97.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 123.25 0.344 . . . . 0.0 110.669 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.84 61.68 13.35 Favored Pre-proline 0 CA--C 1.553 1.094 0 O-C-N 123.308 0.38 . . . . 0.0 110.84 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.0 136.53 41.46 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.797 1.665 . . . . 0.0 112.342 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -81.64 161.73 19.15 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.454 2.102 . . . . 0.0 112.479 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.58 158.85 54.69 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.081 1.854 . . . . 0.0 111.307 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.88 109.4 0.59 Allowed 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.952 1.768 . . . . 0.0 112.014 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.48 159.02 32.6 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 C-N-CA 122.217 1.945 . . . . 0.0 112.376 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.45 156.87 91.0 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.059 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 141.81 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.816 1.678 . . . . 0.0 112.224 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -161.37 157.58 21.92 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.375 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.01 146.77 59.6 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.857 1.705 . . . . 0.0 111.546 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -157.16 157.07 30.29 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.988 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -71.8 154.58 58.83 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.161 1.907 . . . . 0.0 111.752 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -92.64 -9.74 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.986 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -125.49 147.23 49.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -173.93 76.31 0.03 OUTLIER 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.59 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -80.18 177.36 9.01 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.05 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.0 -63.08 1.25 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -173.99 50.68 0.02 OUTLIER 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.511 0.672 . . . . 0.0 109.544 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.56 139.15 32.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.492 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -150.13 142.76 24.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.78 -40.58 95.68 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 123.332 0.395 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.66 -164.46 0.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -108.32 126.05 52.4 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -80.61 156.9 72.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.261 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -72.17 153.26 56.89 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.886 1.724 . . . . 0.0 112.148 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.8 tt -64.23 135.16 28.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -135.85 153.37 77.12 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.91 147.58 55.74 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.155 1.903 . . . . 0.0 112.081 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -144.41 70.37 15.78 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.467 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -67.85 -35.77 20.22 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.902 1.734 . . . . 0.0 112.418 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 42.74 41.68 2.58 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.06 0.457 . . . . 0.0 111.592 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.51 82.47 56.99 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.253 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.25 153.11 61.95 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.156 1.904 . . . . 0.0 111.3 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.79 -49.39 5.38 Favored 'Trans proline' 0 N--CA 1.501 1.939 0 C-N-CA 121.649 1.566 . . . . 0.0 112.095 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.6 tp -172.75 107.01 0.17 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.302 0.376 . . . . 0.0 111.19 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -111.7 136.83 50.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.294 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 t -150.39 155.77 40.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.252 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -139.08 146.79 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.0 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.59 179.82 34.91 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -163.45 158.88 21.53 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' A' ' 15' ' ' ALA . 40.8 pt -139.63 -7.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.22 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.41 146.49 51.25 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.709 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' CE1' ' A' ' 78' ' ' TYR . 61.0 t -85.14 -48.23 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' CE1' HG12 ' A' ' 77' ' ' VAL . 99.0 m-85 -123.93 138.35 54.49 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.709 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 t -134.88 72.11 68.77 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.556 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -72.76 151.15 51.28 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.076 1.851 . . . . 0.0 112.034 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -27.68 52.07 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.979 1.786 . . . . 0.0 112.194 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -129.66 151.7 78.5 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.662 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.75 72.87 6.07 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.329 2.019 . . . . 0.0 112.192 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -103.37 14.61 31.09 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.572 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -123.78 156.49 35.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.635 0.255 . . . . 0.0 110.632 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -121.11 92.85 48.73 Favored Pre-proline 0 CA--C 1.546 0.802 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.843 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.92 155.94 57.07 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.178 1.919 . . . . 0.0 112.323 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.6 133.43 38.26 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -131.41 143.6 50.57 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.491 0.494 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.5 t -75.59 143.22 75.2 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.308 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.55 142.16 60.68 Favored 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 121.91 1.74 . . . . 0.0 111.623 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -55.17 139.34 80.55 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.059 1.84 . . . . 0.0 112.46 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.98 155.93 47.8 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.138 1.892 . . . . 0.0 111.869 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.92 133.11 34.41 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -168.91 80.3 0.72 Allowed Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.125 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.11 138.64 87.18 Favored 'Trans proline' 0 N--CA 1.503 2.056 0 C-N-CA 122.243 1.962 . . . . 0.0 112.007 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.02 146.0 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.82 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -170.71 -47.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.599 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.36 -49.11 75.16 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.65 -40.8 72.83 Favored 'General case' 0 C--N 1.339 0.144 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 76.99 0.12 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.425 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 76.3 125.17 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.95 152.53 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.086 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -96.9 61.86 1.84 Allowed 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.034 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -58.9 -39.07 80.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -57.57 94.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.572 0.545 . . . . 0.0 109.877 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -50.27 -20.27 1.01 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.474 -178.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG12 ' HB3' ' A' ' 16' ' ' SER . 13.5 p -123.32 142.03 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.37 163.46 30.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.4 t 62.13 149.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.2 p -155.94 159.14 39.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.894 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.59 154.1 33.61 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.692 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.63 -71.28 0.16 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.56 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 63.9 m -137.76 140.0 40.38 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.267 0.354 . . . . 0.0 110.649 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.43 149.17 25.31 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.93 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -136.45 -28.75 1.0 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.091 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.57 -45.75 81.13 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.32 0.387 . . . . 0.0 110.726 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 148.62 16.17 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.95 151.26 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.491 0.494 . . . . 0.0 110.991 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -66.28 -20.48 66.11 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.36 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.6 174.35 41.34 Favored Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 65.9 m -126.33 148.42 49.56 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.09 108.13 20.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.469 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.6 m -147.54 35.69 0.87 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.936 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 t -136.54 148.84 47.8 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.518 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.14 149.65 36.84 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.336 0.397 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.6 tp -147.05 126.08 12.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.926 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.64 136.99 33.52 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.8 ptm -72.43 156.88 89.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.14 154.68 62.06 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.268 1.979 . . . . 0.0 112.024 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.51 129.92 43.99 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.429 0.456 . . . . 0.0 110.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -127.35 111.97 14.5 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.528 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -90.64 -135.22 6.13 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 58.5 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.46 157.76 13.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.657 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -63.03 -39.73 95.61 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.635 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -63.09 138.63 58.61 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.5 0.5 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -156.09 164.66 38.14 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -155.67 164.28 38.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -150.95 139.56 20.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.133 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.561 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG2' HD11 ' A' ' 17' ' ' ILE . 16.9 tpt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t 51.54 39.01 23.81 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.766 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -149.01 178.98 8.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -130.94 128.51 40.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -147.74 -74.72 0.19 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.407 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -176.95 93.06 0.04 OUTLIER 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 54.76 72.78 1.0 Allowed Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -44.47 111.8 0.3 Allowed 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.333 2.022 . . . . 0.0 112.384 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.21 149.52 47.41 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.984 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.4 mtt -59.45 -40.28 86.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.735 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.39 -50.07 75.05 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -51.1 -46.06 61.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.562 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.45 HG23 ' SD ' ' A' ' 1' ' ' MET . 46.0 mm -58.78 -47.27 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.896 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.42 -44.92 96.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.185 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.56 89.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.987 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -59.62 -47.74 84.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.109 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HD11 ' HG2' ' A' ' 1' ' ' MET . 48.5 mm -67.43 -76.75 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.591 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 50.41 175.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.013 0.435 . . . . 0.0 111.431 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 HH12 ' HB3' ' A' ' 104' ' ' ALA . 84.3 mtt85 -67.29 -41.61 85.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.692 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 tp -171.27 140.44 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.549 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.31 -20.26 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m 60.15 51.72 5.49 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.48 0.657 . . . . 0.0 109.984 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -57.8 157.24 7.69 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.856 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 61.9 38.67 14.33 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.542 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -110.73 73.33 0.82 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.002 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 149.43 93.74 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.673 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.98 149.86 59.83 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.104 1.87 . . . . 0.0 112.048 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.52 -1.89 58.18 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.333 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.3 58.18 6.3 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.58 152.95 70.33 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.926 1.75 . . . . 0.0 112.286 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.42 154.02 24.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.544 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.57 134.13 28.39 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -178.15 127.63 0.12 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.362 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.58 128.81 35.58 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 159.97 54.85 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.208 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.64 150.9 66.81 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.211 1.941 . . . . 0.0 111.747 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -67.53 151.08 80.21 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.039 1.826 . . . . 0.0 112.295 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -71.72 156.05 57.77 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.38 2.053 . . . . 0.0 112.625 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -71.43 160.64 48.0 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.43 2.087 . . . . 0.0 112.053 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.58 155.5 68.76 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.134 1.89 . . . . 0.0 112.087 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.76 159.67 82.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.075 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -57.88 145.58 90.27 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 122.257 1.971 . . . . 0.0 112.062 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -127.11 153.01 76.66 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.38 147.71 59.49 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.007 1.805 . . . . 0.0 112.266 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -130.58 71.7 82.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.951 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.24 148.19 61.43 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.112 1.875 . . . . 0.0 112.344 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.03 158.44 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.412 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -125.75 142.65 51.41 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -66.01 -38.53 88.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.61 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 p30 -86.78 170.44 11.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.1 -53.46 58.15 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.305 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -176.86 125.02 0.15 Allowed 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -129.53 159.08 41.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 O-C-N 123.265 0.353 . . . . 0.0 111.098 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 54' ' ' LEU . 4.1 mm? -107.05 120.21 41.48 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -167.11 127.16 1.48 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -133.72 92.28 2.95 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.195 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.1 m -63.1 -45.96 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.003 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -91.86 114.01 60.66 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 118.894 -0.574 . . . . 0.0 110.444 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.83 155.64 53.43 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.976 1.784 . . . . 0.0 111.686 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.3 pt -126.92 153.64 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.743 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.96 153.18 51.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.8 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.31 158.28 51.91 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 122.204 1.936 . . . . 0.0 111.923 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -128.55 71.13 80.47 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.151 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.31 157.8 52.81 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.301 2.001 . . . . 0.0 112.227 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -72.59 144.73 47.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.915 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.0 mt -80.85 148.18 64.18 Favored Pre-proline 0 CA--C 1.538 0.513 0 O-C-N 123.423 0.452 . . . . 0.0 110.59 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.06 154.86 47.59 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 122.213 1.942 . . . . 0.0 112.199 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.17 -20.84 56.07 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.245 1.963 . . . . 0.0 112.372 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -120.47 122.4 40.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.065 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -123.66 -63.09 1.25 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.269 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 t -161.56 177.15 10.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.862 0.363 . . . . 0.0 111.506 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.02 142.84 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.3 169.03 44.43 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.75 173.57 8.28 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.571 0.224 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 tt -98.66 42.65 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.283 0.563 . . . . 0.0 109.923 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -95.45 -70.21 0.72 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.8 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.9 m -150.02 12.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -122.76 -56.32 1.77 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.652 0.263 . . . . 0.0 110.608 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 54.48 53.45 10.0 Favored Pre-proline 0 CA--C 1.554 1.11 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.054 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.22 153.83 46.16 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.154 1.903 . . . . 0.0 111.795 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.43 138.61 33.01 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.878 1.718 . . . . 0.0 112.514 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -170.33 131.24 0.92 Allowed Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 146.22 97.42 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.074 1.849 . . . . 0.0 111.03 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.26 -42.9 99.21 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.339 0.4 . . . . 0.0 110.307 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.1 m 55.55 32.31 18.85 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.576 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 48.71 72.95 1.09 Allowed Pre-proline 0 CA--C 1.551 1.0 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.827 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.12 143.97 36.81 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.042 1.828 . . . . 0.0 112.683 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.68 149.85 27.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.203 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 53.86 36.3 23.79 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.211 0.529 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.0 p -76.14 157.28 83.35 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.898 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.82 165.98 31.26 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.501 2.134 . . . . 0.0 112.316 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.46 145.38 68.82 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 C-N-CA 122.179 1.919 . . . . 0.0 111.831 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -76.79 70.0 6.66 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.217 1.945 . . . . 0.0 112.643 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.66 124.46 23.96 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.073 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.7 160.01 55.64 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.556 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.33 164.58 34.58 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.547 2.165 . . . . 0.0 112.329 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.9 t 80.91 83.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.227 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -139.43 123.05 17.4 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.876 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -133.98 -64.26 0.7 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.136 0.273 . . . . 0.0 111.156 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -105.65 -79.26 0.56 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.16 0.288 . . . . 0.0 110.321 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 49.12 51.91 15.36 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -72.25 -42.24 65.86 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.645 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.71 -39.54 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.787 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB3' HH12 ' A' ' 19' ' ' ARG . . . 54.7 75.34 0.3 Allowed 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.302 0.572 . . . . 0.0 110.348 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.06 -44.53 83.1 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.834 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -28.1 132.86 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.71 -53.51 39.96 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.404 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.1 p -162.05 152.3 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.148 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.41 152.98 29.05 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.0 m -139.55 143.9 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.964 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.3 t -166.5 111.23 0.79 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.547 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.08 157.18 23.03 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 58.6 42.75 20.13 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.195 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -90.18 8.35 33.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.095 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.24 27.69 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.63 56.36 0.8 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.203 0.525 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.22 139.98 53.97 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.718 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.2 p -119.07 30.87 6.92 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.002 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.1 144.74 11.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -56.88 -178.79 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.988 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.2 140.88 5.89 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.9 t -159.28 141.83 13.96 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.836 -0.182 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 82.8 mt -119.35 123.16 43.5 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.457 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.1 m -154.14 48.55 0.62 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.4 m -140.92 136.73 32.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.609 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.97 148.45 29.8 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.377 0.423 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 128' ' ' LEU . 3.4 tt -138.44 135.26 35.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 127' ' ' LEU . 8.2 mp -59.66 130.42 46.73 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.11 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 78.4 mtm -72.69 149.92 90.78 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.885 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -67.91 -19.54 46.2 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 122.172 1.914 . . . . 0.0 112.551 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.68 -38.59 88.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.335 0.397 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 54.28 -167.84 0.07 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.471 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -76.57 65.0 2.86 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 87.6 mt -119.69 155.62 32.06 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 54.06 47.07 24.14 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 110.266 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -67.6 -15.15 63.51 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.94 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -67.61 144.32 55.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.517 0.198 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -134.93 30.75 3.34 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -70.7 146.67 49.75 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 56.48 38.02 29.31 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.9 t60 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.16 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m 59.6 34.09 22.21 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.127 0.489 . . . . 0.0 110.608 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -81.77 173.36 12.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -79.68 62.19 3.88 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.698 0.761 . . . . 0.0 109.951 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 m -136.96 160.05 40.07 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.417 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -102.77 160.22 14.79 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 60.67 159.43 0.11 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.411 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.93 92.94 1.1 Allowed 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.305 2.003 . . . . 0.0 112.473 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 p -68.49 167.89 13.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 79.1 mtm -60.75 -38.94 86.88 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.297 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.44 -51.81 67.18 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -58.08 -43.92 87.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.126 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.34 -46.38 92.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 107' ' ' LEU . 10.3 tt -59.39 -40.37 86.36 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.88 92.48 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -61.21 -42.6 98.88 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.74 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.45 -36.98 49.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.491 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -52.45 -67.69 0.23 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.182 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -136.46 146.72 46.66 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.55 0.214 . . . . 0.0 110.611 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 HD11 ' OD2' ' A' ' 25' ' ' ASP . 6.7 tp -146.77 122.89 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.405 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.4 -45.8 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.4 p -157.42 163.43 38.55 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.626 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -84.81 85.0 7.5 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.143 0.497 . . . . 0.0 110.45 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -168.76 17.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.886 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 20' ' ' ILE . 68.7 m-20 -102.68 20.97 16.22 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.44 0.163 . . . . 0.0 111.44 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.38 113.59 42.86 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-O 118.995 -0.526 . . . . 0.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.22 145.26 98.79 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.251 1.967 . . . . 0.0 112.11 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.72 141.34 58.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.678 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -162.41 63.5 1.46 Allowed Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.37 142.71 45.89 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 121.749 1.633 . . . . 0.0 111.51 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.53 156.98 21.58 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.493 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.28 -39.98 0.66 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.496 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 50.12 59.63 4.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.322 0.582 . . . . 0.0 110.551 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.58 146.15 20.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.064 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.58 88.88 52.54 Favored Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.057 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.96 143.95 90.74 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.081 1.854 . . . . 0.0 112.084 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.37 150.79 65.28 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.133 1.889 . . . . 0.0 111.834 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 146.98 59.9 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 122.057 1.838 . . . . 0.0 111.559 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.71 143.23 70.79 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.143 1.895 . . . . 0.0 112.099 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.32 159.87 50.46 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.208 1.938 . . . . 0.0 112.397 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 153.11 96.2 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.508 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.55 -25.15 75.5 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.21 1.94 . . . . 0.0 112.341 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -129.79 151.12 77.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.168 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.2 149.6 58.03 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.062 1.841 . . . . 0.0 112.163 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.87 -61.28 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.3 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.85 147.9 50.92 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.936 1.757 . . . . 0.0 112.134 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -104.69 -50.57 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.2 m -72.3 150.96 43.09 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.947 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -125.07 142.57 51.41 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.056 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -117.91 110.11 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -163.8 156.08 17.43 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -140.93 35.91 1.76 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.073 0.464 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.39 120.68 49.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.215 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.83 5.51 13.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.944 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 55.23 48.09 20.14 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.416 0.627 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.97 146.04 53.95 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.63 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.3 m -115.04 129.09 56.62 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.755 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -91.37 154.6 44.54 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.035 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.74 148.0 85.24 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 121.829 1.686 . . . . 0.0 111.814 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.59 -44.86 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -132.23 74.31 76.35 Favored Pre-proline 0 CA--C 1.549 0.932 0 O-C-N 123.335 0.397 . . . . 0.0 110.623 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.29 139.31 89.38 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 122.124 1.883 . . . . 0.0 111.861 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -150.18 68.32 8.65 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.734 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.97 145.37 39.87 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 121.943 1.762 . . . . 0.0 111.946 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -143.08 105.44 4.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 66' ' ' LEU . 8.1 mp -67.92 -49.73 35.69 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.792 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.39 171.48 16.07 Favored 'Trans proline' 0 N--CA 1.502 2.006 0 C-N-CA 121.972 1.781 . . . . 0.0 112.879 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.89 -175.44 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.738 2.292 . . . . 0.0 113.075 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 145.64 51.7 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.05 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -102.83 155.8 18.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -148.09 155.5 41.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.569 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t 57.13 96.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.879 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.01 92.05 0.08 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -142.59 144.43 32.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 107' ' ' LEU . 19.0 tt -72.19 -34.57 50.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.96 127.19 39.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -110.04 173.37 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.845 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.39 154.75 33.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.182 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 m -63.91 148.46 94.89 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.34 154.19 61.2 Favored 'Trans proline' 0 N--CA 1.5 1.888 0 C-N-CA 122.23 1.953 . . . . 0.0 112.673 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.68 159.5 50.76 Favored 'Trans proline' 0 N--CA 1.5 1.863 0 C-N-CA 122.344 2.029 . . . . 0.0 112.16 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -122.35 96.43 46.11 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 123.593 0.558 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.12 151.48 61.35 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.086 1.857 . . . . 0.0 112.28 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 58.62 112.73 0.01 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.6 p -162.16 147.66 12.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.052 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -131.17 68.99 82.25 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.252 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.04 145.83 45.55 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.055 1.836 . . . . 0.0 112.209 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.47 141.76 48.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 66.58 -70.5 0.11 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.821 0.701 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.5 p -150.33 158.45 36.18 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.321 -0.371 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -58.23 141.89 96.97 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.084 1.856 . . . . 0.0 111.778 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.84 151.03 56.6 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.952 1.768 . . . . 0.0 112.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.26 150.59 59.36 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.197 1.931 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.19 -63.81 0.55 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.229 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.66 3.84 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 123.321 0.388 . . . . 0.0 111.025 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.81 147.95 86.03 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.242 1.961 . . . . 0.0 111.635 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.47 160.02 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.16 134.79 46.81 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.554 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.26 107.51 19.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.901 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 46.51 63.49 1.87 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.121 0.486 . . . . 0.0 111.093 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -80.51 120.61 24.72 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -69.96 98.62 1.3 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.54 139.8 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.671 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -148.76 172.36 14.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.681 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 75.78 84.69 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.155 0.502 . . . . 0.0 111.213 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -65.72 117.79 8.66 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.09 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 14' ' ' LEU . 55.4 tp -76.75 -45.11 30.39 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.431 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.09 157.65 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.036 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.62 67.59 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.6 t -118.49 123.89 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -157.62 163.27 38.45 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 65.14 169.41 0.2 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.459 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.85 154.09 27.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.732 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.4 t -149.14 142.42 25.11 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -157.11 155.54 31.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.569 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 148.44 19.45 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.82 147.36 46.53 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.809 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -143.04 139.64 30.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.75 -173.15 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.818 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -137.84 143.12 40.81 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.36 0.413 . . . . 0.0 110.055 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -165.65 155.61 27.03 Favored Glycine 0 N--CA 1.466 0.672 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.5 m -103.66 -22.01 13.64 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.94 166.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.715 0.293 . . . . 0.0 110.472 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.9 p -102.8 -26.47 13.14 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t 65.58 84.93 0.15 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 144.74 46.26 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.927 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -147.69 142.59 26.88 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.671 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.55 50.34 1.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.154 0.502 . . . . 0.0 110.712 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.9 mtt 59.13 160.4 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -69.9 156.75 62.2 Favored 'Trans proline' 0 N--CA 1.502 2.005 0 C-N-CA 122.041 1.827 . . . . 0.0 112.174 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.4 mtmm -88.19 1.51 54.26 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.256 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 46.77 52.13 11.67 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.894 0.378 . . . . 0.0 111.305 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -88.1 37.32 3.28 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 134' ' ' LEU . 8.1 mp -100.59 11.13 40.15 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.92 -39.73 93.03 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 120.494 0.188 . . . . 0.0 110.914 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -110.89 124.15 51.52 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.597 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -141.11 95.24 2.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -143.25 151.93 41.14 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 55.4 39.99 31.28 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.024 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -106.01 118.08 35.68 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.27 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.267 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 119.932 -0.08 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -74.63 128.71 36.22 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.47 -42.85 99.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -169.57 -48.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.452 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -161.68 142.29 10.74 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 55.49 59.51 3.86 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.751 0.786 . . . . 0.0 109.687 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.11 156.1 79.45 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.317 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.57 125.41 18.94 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.439 1.426 . . . . 0.0 111.338 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 11' ' ' GLU . 32.2 m -71.47 141.85 50.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.878 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -47.81 -28.64 2.67 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.211 0.319 . . . . 0.0 111.403 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 9' ' ' THR . 56.3 tt0 -59.54 -47.41 85.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.88 -45.87 92.87 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.693 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.35 -49.65 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.238 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.89 -37.42 81.73 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.51 90.33 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.722 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.0 m -62.52 -39.22 92.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.1 mm -60.43 -46.82 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 60.14 -164.89 0.22 Allowed 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.134 0.271 . . . . 0.0 110.675 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 52.73 89.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.389 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.51 -31.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.105 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 104' ' ' ALA . 16.2 pt -67.66 103.82 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.392 0.615 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -154.24 129.31 9.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.002 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -158.08 149.36 21.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.991 0.425 . . . . 0.0 112.035 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 74.89 -49.86 0.66 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.13 -40.87 74.58 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.304 0.378 . . . . 0.0 110.488 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.37 144.86 96.97 Favored Pre-proline 0 CA--C 1.541 0.613 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.832 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 -15.17 30.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.197 1.931 . . . . 0.0 112.893 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.6 30.16 16.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 0.0 110.711 -179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -155.42 67.41 5.0 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -54.63 139.1 76.34 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.246 1.964 . . . . 0.0 112.664 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.29 94.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.64 83.22 0.16 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.246 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -134.51 163.08 30.51 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.009 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.04 127.3 42.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.655 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.52 86.01 11.24 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.808 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.27 146.65 63.91 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.925 1.75 . . . . 0.0 112.616 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.59 163.76 31.38 Favored 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.473 2.115 . . . . 0.0 112.208 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.97 157.07 63.3 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.225 1.95 . . . . 0.0 111.55 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.96 148.03 75.33 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.928 1.752 . . . . 0.0 112.363 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.82 158.88 46.11 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.339 2.026 . . . . 0.0 112.4 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -128.85 72.86 81.61 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.895 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.8 156.22 61.04 Favored 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.466 2.111 . . . . 0.0 112.748 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -70.78 157.57 89.93 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.452 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -37.92 68.28 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 122.108 1.872 . . . . 0.0 112.225 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 50.05 63.22 10.46 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.32 -23.57 75.31 Favored 'Trans proline' 0 N--CA 1.504 2.1 0 C-N-CA 122.065 1.843 . . . . 0.0 112.544 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.13 129.65 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.1 m -62.07 143.18 57.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -90.66 -28.79 18.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.305 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -78.83 178.07 8.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' OD2' HG13 ' A' ' 53' ' ' VAL . 13.8 t0 -164.78 179.25 6.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.046 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -116.67 6.28 13.31 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.491 HG13 ' OD2' ' A' ' 51' ' ' ASP . 27.6 m -73.43 -34.51 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 O-C-N 123.077 0.236 . . . . 0.0 110.964 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -122.34 144.33 49.08 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -108.38 24.49 12.95 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.323 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.05 -40.15 94.79 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.065 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -152.6 148.79 27.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -85.58 156.7 58.87 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.975 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.33 -21.93 30.15 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.799 1.666 . . . . 0.0 112.738 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.65 -45.44 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.62 57.77 14.98 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.606 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.2 -19.51 44.5 Favored 'Trans proline' 0 N--CA 1.503 2.054 0 C-N-CA 122.375 2.05 . . . . 0.0 112.822 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.17 160.74 79.62 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.062 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.61 139.45 82.88 Favored 'Trans proline' 0 N--CA 1.501 1.951 0 C-N-CA 122.272 1.982 . . . . 0.0 112.302 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -95.0 134.18 37.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.495 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.0 mt -128.23 154.07 78.84 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.872 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -53.95 130.24 38.31 Favored 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 121.861 1.708 . . . . 0.0 111.978 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.49 -38.6 89.21 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.127 1.885 . . . . 0.0 112.528 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.31 175.17 5.54 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 66.92 29.91 7.97 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.205 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p 58.12 144.76 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.422 0.63 . . . . 0.0 111.839 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.57 -24.65 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.47 -130.24 28.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 65.92 71.36 0.42 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.569 0.7 . . . . 0.0 109.205 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 107' ' ' LEU . 7.0 tp -58.19 -36.73 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.892 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -164.14 147.4 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.115 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' SER . 30.5 m -101.93 -178.71 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.065 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -60.61 -38.3 84.26 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.359 0.412 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 77' ' ' VAL . 89.6 p -154.19 156.32 31.74 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.268 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.0 149.81 59.59 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.031 1.82 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.48 50.6 3.28 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.276 1.984 . . . . 0.0 111.877 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -172.84 79.56 0.42 Allowed Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.76 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.83 133.03 55.62 Favored 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.969 1.779 . . . . 0.0 112.275 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -91.79 149.19 21.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.604 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.6 t -79.47 -56.01 4.63 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.769 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -130.54 71.64 82.23 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.31 152.06 60.8 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.168 1.912 . . . . 0.0 111.859 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.78 147.31 32.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.509 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -151.03 136.06 17.46 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.133 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -146.07 158.15 48.88 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 119.589 -0.244 . . . . 0.0 111.474 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.12 157.03 41.49 Favored 'Trans proline' 0 N--CA 1.504 2.133 0 C-N-CA 122.589 2.193 . . . . 0.0 112.266 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.74 145.77 58.76 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.179 1.919 . . . . 0.0 111.446 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.28 -32.2 82.01 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 C-N-CA 121.858 1.705 . . . . 0.0 113.243 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -168.26 146.97 4.43 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.918 0.389 . . . . 0.0 111.94 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.2 65.67 10.79 Favored Pre-proline 0 CA--C 1.55 0.976 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.366 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.44 -41.45 76.06 Favored 'Trans proline' 0 N--CA 1.505 2.185 0 C-N-CA 122.326 2.017 . . . . 0.0 113.351 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 98' ' ' PHE . 14.9 p -168.83 161.49 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.201 0.313 . . . . 0.0 110.855 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' N ' HG22 ' A' ' 97' ' ' VAL . 54.1 p90 -144.4 157.95 44.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.223 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -179.15 -29.28 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.937 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -57.46 -40.11 77.79 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -56.03 128.88 37.51 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.6 31.39 4.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.609 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.69 148.39 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 21' ' ' ILE . . . -118.93 124.48 47.16 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.501 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -168.92 131.83 1.33 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.1 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -141.18 30.31 1.79 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 75' ' ' ILE . 4.6 tp 60.02 172.57 0.09 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.54 157.41 42.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.74 -21.57 45.2 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.655 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.19 -28.63 35.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 t -95.94 121.46 37.72 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.095 0.247 . . . . 0.0 110.675 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -160.57 152.56 20.09 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.408 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.34 98.31 3.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.0 m 50.27 31.77 5.55 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.246 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.13 158.29 38.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.38 -50.2 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.335 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.37 148.64 30.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.28 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.6 m -107.83 23.46 14.44 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.74 143.96 56.62 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -134.81 107.56 7.46 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.222 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 58.13 -143.09 43.84 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.5 t -171.67 100.84 0.18 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.6 mt 49.09 42.89 21.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.4 p -133.59 31.49 3.69 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.534 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.421 ' O ' HD13 ' A' ' 128' ' ' LEU . 66.0 m -108.06 125.45 51.58 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -99.64 -177.79 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.623 0.577 . . . . 0.0 111.101 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.6 mt 58.7 49.68 9.87 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.292 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 125' ' ' SER . 6.6 mp -96.54 37.1 1.3 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.184 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.09 149.57 98.09 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.82 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.59 160.44 46.54 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.363 2.042 . . . . 0.0 112.425 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -65.53 157.85 28.57 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.159 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.75 112.6 12.31 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.628 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.35 92.57 2.27 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -39.75 91.02 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.929 -0.135 . . . . 0.0 110.996 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.41 141.65 43.64 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.263 0.352 . . . . 0.0 110.243 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -163.28 -61.03 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -106.63 105.2 15.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.752 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -101.01 -14.78 17.7 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -64.73 -39.82 94.28 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.547 0.213 . . . . 0.0 111.041 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 55.65 37.77 29.3 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.251 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.7 p -63.05 -36.31 83.16 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.891 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -101.95 148.5 25.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -146.84 154.19 41.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -146.09 -56.16 0.29 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -123.01 -47.85 2.02 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.11 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HG3' HG23 ' A' ' 9' ' ' THR . 23.7 tp10 -170.57 93.14 0.47 Allowed Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -76.19 64.28 7.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.941 1.76 . . . . 0.0 112.501 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 7' ' ' GLU . 79.2 p -73.25 165.7 24.55 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.327 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.413 ' SD ' HG23 ' A' ' 75' ' ' ILE . 26.3 ptt? -53.81 -20.7 6.12 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.26 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -70.46 -51.52 28.63 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.43 -36.25 83.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.408 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.25 -49.57 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 O-C-N 123.235 0.334 . . . . 0.0 110.578 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' C ' ' A' ' 14' ' ' LEU . 10.2 tt -63.3 -40.94 98.76 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.003 0.19 . . . . 0.0 111.1 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.73 70.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.538 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -47.28 -49.68 23.15 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.982 -176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.36 -50.18 69.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -82.02 21.85 0.84 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.916 -1.038 . . . . 0.0 113.219 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -137.93 130.21 29.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.682 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.7 pt -133.86 150.37 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.442 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.32 -46.32 95.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.551 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 91.6 p -163.36 165.8 23.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.734 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -151.38 131.76 13.74 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.793 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -158.84 170.23 22.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.288 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.0 72.09 10.5 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.304 0.573 . . . . 0.0 110.515 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.19 142.83 66.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.922 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.83 168.78 23.93 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.457 2.105 . . . . 0.0 112.685 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.05 68.05 0.46 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.764 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -141.03 59.43 10.79 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.228 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -58.65 149.4 76.71 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.01 1.806 . . . . 0.0 112.128 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.62 135.5 7.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.082 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.27 150.52 14.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 48.94 52.32 14.48 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.294 0.569 . . . . 0.0 110.8 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 126.03 24.03 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.35 165.27 18.93 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.518 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.16 144.71 79.7 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.035 1.824 . . . . 0.0 111.597 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.64 160.0 49.43 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.115 1.876 . . . . 0.0 112.292 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -57.51 152.15 49.44 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.261 1.974 . . . . 0.0 111.68 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -53.89 147.66 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.958 1.772 . . . . 0.0 111.327 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.54 148.31 90.51 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 121.951 1.767 . . . . 0.0 112.104 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -70.08 157.51 89.65 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -50.67 -37.31 53.3 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.073 1.848 . . . . 0.0 111.853 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -98.31 118.79 63.01 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.098 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -57.78 145.45 90.24 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.993 1.795 . . . . 0.0 111.944 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -56.19 -50.03 89.84 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.338 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.22 151.82 39.01 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.808 1.672 . . . . 0.0 111.44 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.05 -44.85 95.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -169.8 -60.79 0.02 OUTLIER 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.713 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -138.6 102.14 4.52 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.089 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -118.17 108.5 15.24 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.599 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.56 140.47 58.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.799 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -171.0 100.0 0.21 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.56 -31.71 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.596 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.87 -40.8 98.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 50.13 32.84 6.31 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -117.57 31.74 6.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.378 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 p -117.45 -62.65 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.163 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -91.72 156.77 42.55 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.08 142.87 99.31 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.838 1.692 . . . . 0.0 111.813 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.2 pt -107.58 -28.32 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.427 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.36 155.76 31.95 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.324 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -55.22 -40.15 87.26 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.1 1.867 . . . . 0.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.66 73.56 4.21 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.96 139.09 32.43 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.912 1.741 . . . . 0.0 111.986 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.71 -40.35 96.55 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp 178.38 -54.61 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.623 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.83 160.55 47.6 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 121.894 1.729 . . . . 0.0 112.541 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.02 -13.29 38.96 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.372 2.048 . . . . 0.0 112.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt 62.07 118.75 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 0.0 110.681 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.94 170.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.19 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.9 t -154.96 152.92 30.27 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -98.58 125.91 51.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.79 156.54 14.67 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -152.98 121.46 6.33 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD12 ' HB2' ' A' ' 107' ' ' LEU . 78.8 mt -87.31 92.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.79 146.0 33.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.006 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 78' ' ' TYR . 13.5 p -171.75 165.78 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 77' ' ' VAL . 87.8 m-85 -56.35 147.88 20.22 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 t -99.76 108.63 52.26 Favored Pre-proline 0 CA--C 1.544 0.718 0 O-C-N 123.488 0.493 . . . . 0.0 111.384 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.59 151.35 76.33 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.147 1.898 . . . . 0.0 111.409 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -52.66 137.53 58.95 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.789 1.659 . . . . 0.0 111.664 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.4 69.32 54.41 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.387 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.06 139.81 85.67 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.015 1.81 . . . . 0.0 111.412 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -129.67 137.05 50.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.225 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.8 t -108.08 -48.95 3.28 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.179 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 48.92 61.04 14.78 Favored Pre-proline 0 CA--C 1.553 1.089 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.387 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.78 -33.24 87.41 Favored 'Trans proline' 0 N--CA 1.505 2.157 0 C-N-CA 122.159 1.906 . . . . 0.0 112.06 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.95 57.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.089 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.496 ' HD2' HG23 ' A' ' 90' ' ' THR . 80.7 t80 -60.49 -46.9 88.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.597 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.496 HG23 ' HD2' ' A' ' 89' ' ' TYR . 81.3 p -111.22 161.27 25.87 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.639 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -53.62 130.08 37.09 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.668 1.579 . . . . 0.0 111.439 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -79.08 158.49 26.91 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.124 1.883 . . . . 0.0 112.579 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.26 -19.84 62.28 Favored 'Trans proline' 0 N--CA 1.503 2.035 0 C-N-CA 122.04 1.827 . . . . 0.0 111.824 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.63 158.1 43.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.83 69.2 19.22 Favored Pre-proline 0 CA--C 1.546 0.816 0 O-C-N 123.263 0.352 . . . . 0.0 110.791 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.7 112.62 3.48 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.985 1.79 . . . . 0.0 112.119 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.73 154.74 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.702 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -123.18 121.54 36.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -144.72 30.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.051 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 69.86 -67.93 0.21 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.649 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.6 t0 56.66 179.47 0.04 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.473 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -140.89 139.86 34.44 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 p -143.48 144.29 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 O-C-N 123.223 0.327 . . . . 0.0 110.794 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.13 -62.39 0.11 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.828 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.472 ' HG3' HD22 ' A' ' 14' ' ' LEU . 32.4 tt0 -162.55 94.96 0.9 Allowed 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.573 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -147.44 131.34 17.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.009 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HB2' HD12 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -95.58 150.35 20.43 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.313 0.383 . . . . 0.0 110.131 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.8 t 60.27 -96.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.642 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.84 33.93 88.36 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.59 124.0 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -121.06 174.95 6.33 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.689 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.68 99.6 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 45.76 73.44 0.17 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.9 t -151.31 149.72 29.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.844 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.7 -81.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -178.04 55.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 110.384 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -126.81 120.13 28.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 t -179.46 80.34 0.01 OUTLIER 'General case' 0 C--O 1.239 0.528 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.767 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.44 127.63 35.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.098 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -62.0 155.28 24.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.205 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -90.28 25.73 11.91 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.363 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.2 t -150.2 144.95 25.96 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 124' ' ' SER . 2.9 pp -67.16 -45.83 75.85 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.276 0.36 . . . . 0.0 110.752 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -172.48 -68.65 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.135 0.272 . . . . 0.0 111.427 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.8 t -154.32 155.46 35.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.183 0.302 . . . . 0.0 110.635 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -146.47 -82.9 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.964 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.6 mt 57.7 73.84 0.45 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.725 0.774 . . . . 0.0 110.348 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.61 -39.76 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.92 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -105.94 155.18 38.78 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.83 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.81 -174.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.499 1.827 0 C-N-CA 122.299 2.0 . . . . 0.0 111.756 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.45 147.69 25.67 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.8 91.55 8.42 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.108 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.26 -41.03 98.43 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.35 140.29 43.22 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.85 109.25 19.36 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.328 0.392 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.1 -38.78 75.74 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.894 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -109.8 114.43 28.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.043 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -150.02 127.85 11.77 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -139.98 155.77 46.96 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.567 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -65.63 -20.94 66.51 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.776 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.123 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -63.75 -24.45 67.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.395 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.9 -39.72 92.97 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.098 0.249 . . . . 0.0 110.717 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.1 -39.23 86.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.681 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -154.88 148.86 25.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.041 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.3 pm0 -77.94 8.51 4.58 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -130.74 155.77 80.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.772 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.7 115.42 3.22 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.612 1.541 . . . . 0.0 111.532 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -99.98 164.63 11.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.669 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 tpt -56.3 -44.56 79.99 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.513 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.48 -23.51 65.49 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -75.46 -57.97 3.57 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.978 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.52 -48.43 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.014 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 107' ' ' LEU . 65.4 tp -57.48 -49.39 76.44 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.348 0.405 . . . . 0.0 109.971 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -41.98 90.38 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.394 0.434 . . . . 0.0 111.433 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -61.46 -40.44 94.5 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.179 0.3 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.44 -46.16 95.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.37 -129.34 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 118.867 -0.587 . . . . 0.0 110.116 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.1 mtp-105 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 119.026 0.83 . . . . 0.0 110.201 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.5 pt -68.28 -32.25 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.633 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt 41.76 96.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 O-C-N 123.463 0.477 . . . . 0.0 111.301 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.2 m -134.72 -73.59 0.47 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.105 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 49.08 29.5 2.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -50.39 74.16 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.101 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -112.72 84.76 2.04 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 123.378 0.424 . . . . 0.0 110.832 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.4 151.22 53.19 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.93 72.15 5.44 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.376 2.051 . . . . 0.0 112.226 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.03 105.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.411 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 178.91 -56.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.394 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.88 171.06 15.94 Favored 'Trans proline' 0 N--CA 1.486 1.034 0 C-N-CA 121.991 1.794 . . . . 0.0 112.548 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.74 92.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.132 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 55.58 66.61 1.17 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.772 0.796 . . . . 0.0 110.818 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -121.67 143.4 49.36 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.13 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.2 49.84 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.381 0.426 . . . . 0.0 110.336 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.7 159.81 71.03 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.02 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.33 158.36 57.82 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.07 147.93 72.14 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.331 2.021 . . . . 0.0 112.14 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.3 156.61 64.06 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.129 1.886 . . . . 0.0 112.092 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.86 153.07 73.46 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.217 1.945 . . . . 0.0 112.078 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.36 154.65 65.2 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 122.212 1.941 . . . . 0.0 112.296 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -131.16 156.4 80.2 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.393 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.17 148.84 63.32 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.971 1.781 . . . . 0.0 112.136 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -132.58 81.31 59.91 Favored Pre-proline 0 CA--C 1.547 0.827 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -71.51 149.75 56.43 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 122.123 1.882 . . . . 0.0 112.201 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -133.02 80.68 59.53 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.027 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.46 148.3 54.02 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 122.099 1.866 . . . . 0.0 112.279 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.7 125.64 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -152.25 141.96 21.89 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -144.53 109.37 4.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -118.19 107.24 13.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.256 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -88.97 99.06 12.11 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.471 0.482 . . . . 0.0 110.288 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -171.9 124.92 0.55 Allowed 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HG2' ' A' ' 55' ' ' GLU . 27.1 m -119.82 138.71 49.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 O-C-N 123.493 0.496 . . . . 0.0 110.916 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.68 -39.92 84.43 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.635 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 53' ' ' VAL . 80.0 mm-40 54.57 29.25 11.04 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.5 -41.89 7.56 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.663 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 m 53.61 21.1 2.4 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -91.58 150.37 40.97 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.318 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.42 -21.19 41.06 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 122.039 1.826 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.15 -46.52 96.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.66 117.88 63.09 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.381 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.91 157.08 27.24 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.023 1.815 . . . . 0.0 112.394 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -71.21 151.47 94.53 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.71 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -62.44 -36.51 65.78 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.788 1.659 . . . . 0.0 111.976 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -123.76 140.02 53.41 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.335 0.397 . . . . 0.0 110.966 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.8 mm? -81.9 157.62 68.79 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.577 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.96 149.9 76.12 Favored 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.356 2.037 . . . . 0.0 111.765 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -68.81 151.44 74.23 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 C-N-CA 122.072 1.848 . . . . 0.0 112.01 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.54 -63.07 1.18 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -106.84 -59.86 1.75 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 t -153.6 154.73 34.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 77' ' ' VAL . 81.7 t -64.08 -40.68 89.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.622 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.45 32.4 55.06 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 77' ' ' VAL . 15.5 t0 -144.08 153.57 42.31 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.662 0.267 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 tp -89.87 4.75 5.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.418 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.13 18.6 22.06 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG12 HG11 ' A' ' 72' ' ' VAL . 30.0 m -63.16 128.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 111.613 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -124.73 -59.89 1.41 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 t -59.32 135.98 88.59 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.068 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.53 152.66 65.45 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 121.919 1.746 . . . . 0.0 112.625 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.17 163.57 37.7 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.498 2.132 . . . . 0.0 112.059 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 63.44 165.76 0.11 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.262 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.21 157.96 59.48 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.305 2.003 . . . . 0.0 112.487 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.25 -44.71 92.36 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.001 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.8 m -65.55 141.73 58.35 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.419 0.449 . . . . 0.0 110.012 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 51.38 64.23 8.31 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.264 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -53.33 -39.2 82.1 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.397 2.065 . . . . 0.0 112.619 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 45.99 83.29 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.859 0.362 . . . . 0.0 111.213 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 58.97 45.71 14.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.504 0.668 . . . . 0.0 110.424 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 m -138.6 110.73 8.16 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.373 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.88 137.91 80.25 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 121.818 1.679 . . . . 0.0 111.888 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.34 154.38 45.86 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.017 1.812 . . . . 0.0 112.384 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.88 146.53 92.98 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.177 1.918 . . . . 0.0 111.631 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' HB3' ' HB ' ' A' ' 110' ' ' VAL . . . -147.34 150.58 35.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.66 90.25 6.48 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.142 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.77 136.76 72.84 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.009 1.806 . . . . 0.0 112.013 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 98' ' ' PHE . 33.8 m -56.66 -41.76 75.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' CD1' HG23 ' A' ' 97' ' ' VAL . 98.6 m-85 -71.9 -49.25 39.51 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.332 0.395 . . . . 0.0 110.133 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.4 t0 66.94 54.62 0.76 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.396 1.093 . . . . 0.0 108.402 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -145.66 -30.3 0.41 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 113.646 -1.615 . . . . 0.0 110.312 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.41 143.39 57.85 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.063 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -143.73 136.83 27.65 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.89 146.97 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.056 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 61.65 68.77 0.68 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.519 0.676 . . . . 0.0 110.341 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 60.57 163.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.681 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -68.83 -17.44 64.01 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD13 HD13 ' A' ' 14' ' ' LEU . 27.8 tp -50.21 -51.4 44.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.89 159.9 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.51 76.04 0.09 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' A' ' 94' ' ' ALA . 35.9 m -133.88 157.63 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.045 0.45 . . . . 0.0 111.718 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 t -79.96 153.81 28.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.953 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.68 151.33 30.44 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.81 151.13 33.04 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -94.22 52.98 1.66 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.638 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.04 154.62 35.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.418 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.41 147.88 19.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -136.21 88.25 2.37 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.394 0.434 . . . . 0.0 110.529 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.9 t -160.34 141.82 12.42 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.949 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 165.69 22.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.557 0.535 . . . . 0.0 110.164 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -116.65 149.59 39.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.83 58.42 2.51 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.1 p -71.29 160.27 33.1 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.476 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.8 tp 61.85 148.65 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.91 -64.24 0.71 Allowed 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.051 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 m -140.74 143.59 35.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.62 -169.23 0.31 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.61 0.569 . . . . 0.0 110.268 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 127' ' ' LEU . 1.5 pt? -161.76 37.23 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.183 0.516 . . . . 0.0 110.932 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.39 141.79 52.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.615 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.3 ttp -131.11 79.97 69.86 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.055 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.33 151.92 54.69 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.283 1.988 . . . . 0.0 112.535 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -119.68 28.21 8.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.8 p-10 -82.78 179.65 7.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.05 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.484 ' O ' HD22 ' A' ' 134' ' ' LEU . . . -160.14 162.55 33.28 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 133' ' ' GLY . 0.7 OUTLIER -133.33 164.88 26.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 54.89 87.25 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -109.88 16.77 21.76 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.617 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 71.3 t60 55.9 38.79 30.41 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.127 0.489 . . . . 0.0 110.435 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -155.48 142.64 19.27 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.24 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -63.58 137.33 58.07 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.206 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -64.91 138.54 58.43 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.433 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.465 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 tpp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t 55.69 -176.03 0.05 OUTLIER 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.255 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.81 20.36 16.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.25 -40.54 97.71 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 110.424 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -63.0 137.95 58.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.93 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.6 -40.77 96.0 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.563 0.539 . . . . 0.0 110.945 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -128.86 71.63 81.55 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.615 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.12 118.41 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.909 1.739 . . . . 0.0 111.394 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 11' ' ' GLU . 47.3 m -97.4 141.27 30.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.969 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -51.78 -16.17 0.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' HG22 ' A' ' 9' ' ' THR . 54.8 mt-10 -70.27 -45.51 66.26 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.87 -40.05 87.73 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.175 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.12 -47.8 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.618 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -59.57 -40.01 85.94 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.63 178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.87 99.7 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -48.33 -48.69 36.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.937 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' A' ' 105' ' ' GLU . 38.6 pt -85.87 -7.31 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 120.576 -0.45 . . . . 0.0 112.138 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -103.33 119.46 38.92 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.034 0.445 . . . . 0.0 110.762 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 43.8 69.53 0.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.491 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 21' ' ' ILE . 87.7 mt -60.87 -47.13 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG23 HG22 ' A' ' 20' ' ' ILE . 39.1 pt -125.35 9.29 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.913 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t 54.0 21.31 2.83 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -66.06 110.46 2.96 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.34 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.41 -168.05 1.41 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.026 -179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -87.4 33.76 0.69 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.036 0.446 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -68.77 160.84 75.5 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 27.6 Cg_endo -60.55 -23.06 74.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.178 1.918 . . . . 0.0 112.816 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 139.61 57.3 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.158 0.286 . . . . 0.0 110.247 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -159.15 70.2 3.43 Favored Pre-proline 0 CA--C 1.541 0.622 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -79.07 65.96 8.81 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.096 1.864 . . . . 0.0 112.406 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.15 148.44 25.98 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.124 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.26 22.74 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 61.07 -82.85 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.89 157.51 39.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.708 0.289 . . . . 0.0 110.706 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 36' ' ' PRO . . . -168.39 -59.97 0.01 OUTLIER Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 71.2 Cg_endo -72.48 157.55 52.71 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.074 1.849 . . . . 0.0 112.006 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.39 154.61 68.96 Favored 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 122.136 1.89 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.91 141.5 85.74 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.224 1.949 . . . . 0.0 111.904 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.38 151.39 59.74 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.044 1.83 . . . . 0.0 112.432 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.92 156.21 52.62 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.209 1.939 . . . . 0.0 112.135 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -157.8 -51.16 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 CA-C-O 118.786 -0.626 . . . . 0.0 111.433 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.06 141.19 97.97 Favored 'Trans proline' 0 N--CA 1.502 2.007 0 C-N-CA 121.704 1.603 . . . . 0.0 111.741 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -130.21 70.26 82.17 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.738 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.91 146.13 52.26 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.012 1.808 . . . . 0.0 111.572 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -142.52 75.88 18.61 Favored Pre-proline 0 CA--C 1.546 0.82 0 O-C-N 123.442 0.464 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.36 147.21 52.34 Favored 'Trans proline' 0 N--CA 1.498 1.757 0 C-N-CA 121.929 1.753 . . . . 0.0 111.582 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -146.86 132.5 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -176.45 -63.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.105 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -151.23 162.6 40.59 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' OD2' HG12 ' A' ' 53' ' ' VAL . 53.4 p-10 -119.77 170.95 8.75 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.381 0.426 . . . . 0.0 110.97 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.02 -47.89 83.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.59 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -158.97 151.88 22.12 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG12 ' OD2' ' A' ' 50' ' ' ASP . 32.5 m -116.72 159.0 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 O-C-N 123.293 0.37 . . . . 0.0 111.165 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.2 pp -136.84 154.17 50.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.407 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -99.31 1.37 44.48 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.5 tp -95.13 106.99 19.05 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.555 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 82.1 p -138.15 166.49 24.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.946 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.09 153.26 95.46 Favored Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.74 137.51 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.734 1.623 . . . . 0.0 112.892 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.08 -32.12 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.992 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -134.85 153.09 78.49 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.797 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.76 148.03 57.69 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.14 1.893 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.17 152.08 92.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.79 -25.77 68.0 Favored 'Trans proline' 0 N--CA 1.503 2.045 0 C-N-CA 121.997 1.798 . . . . 0.0 112.382 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.15 132.34 55.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.962 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.8 tp 48.84 65.92 6.44 Favored Pre-proline 0 CA--C 1.55 0.965 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.981 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -55.27 138.1 78.66 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.217 1.944 . . . . 0.0 112.105 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.78 143.44 99.62 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.134 1.889 . . . . 0.0 112.302 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.77 149.93 49.35 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -129.69 72.77 1.49 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.257 0.551 . . . . 0.0 110.638 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.2 m -136.65 128.34 28.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.506 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.27 160.46 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.221 0.326 . . . . 0.0 110.985 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.58 164.31 27.4 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -162.64 159.72 24.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.612 0.244 . . . . 0.0 110.629 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 14' ' ' LEU . 18.8 tt -82.6 -36.25 13.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.237 178.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.61 165.92 11.58 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.015 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.95 128.13 38.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -132.97 98.89 4.41 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.084 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.3 p -142.43 57.93 6.9 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.957 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.84 152.9 53.0 Favored 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.096 1.864 . . . . 0.0 111.763 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.88 139.58 89.67 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 121.978 1.785 . . . . 0.0 111.597 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -76.78 150.18 81.32 Favored Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.46 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.97 150.11 60.31 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.939 1.759 . . . . 0.0 111.949 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -103.58 142.78 33.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.141 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 88.0 p -146.85 160.86 41.77 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.442 0.464 . . . . 0.0 111.147 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -130.45 93.96 31.06 Favored Pre-proline 0 CA--C 1.546 0.789 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.949 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -54.43 138.82 74.33 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.986 1.79 . . . . 0.0 111.95 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.21 160.38 40.82 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.46 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -62.86 -38.4 90.7 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.6 p -76.47 164.56 58.94 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 123.5 0.5 . . . . 0.0 110.294 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.43 146.87 71.64 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 122.245 1.963 . . . . 0.0 112.224 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.7 150.76 59.74 Favored 'Trans proline' 0 N--CA 1.504 2.107 0 C-N-CA 122.297 1.998 . . . . 0.0 112.329 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -69.94 158.02 58.12 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 122.251 1.968 . . . . 0.0 112.439 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.64 149.17 48.4 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.83 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.76 154.18 13.35 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.08 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.64 146.78 49.82 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.25 1.967 . . . . 0.0 112.887 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.4 -32.02 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.133 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.15 128.81 37.34 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -164.87 -39.47 0.03 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.423 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -52.39 -70.56 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.607 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.0 t0 56.44 50.89 12.24 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.297 0.57 . . . . 0.0 110.94 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.43 171.84 12.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.124 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.8 m -65.85 178.85 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.03 94.68 5.2 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.649 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' HG21 ' A' ' 17' ' ' ILE . 35.5 tp10 -155.04 154.28 32.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.845 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -76.9 -3.71 40.05 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.723 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.09 90.09 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m 41.43 -162.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.167 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.08 -160.39 22.27 Favored Glycine 0 C--N 1.342 0.887 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.05 132.26 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.02 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 t -131.34 99.64 4.91 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.55 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.44 158.68 44.0 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.221 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.38 155.32 41.11 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 t -142.99 139.69 30.72 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 0.0 111.299 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -170.78 115.34 0.45 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.43 -39.49 0.02 OUTLIER 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -157.69 155.05 29.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.221 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.3 t -149.78 141.48 23.59 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.99 150.35 49.95 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.751 0.31 . . . . 0.0 111.316 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -97.64 13.77 29.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.699 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 104.61 134.58 8.13 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.4 m -72.8 149.34 43.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.523 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -97.9 109.79 22.48 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.999 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.3 p -147.42 163.84 35.21 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.479 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -148.46 173.46 13.09 Favored 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 123.878 0.736 . . . . 0.0 109.667 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.32 157.21 36.17 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.333 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tt -171.44 66.92 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.364 0.602 . . . . 0.0 110.226 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.2 mp -72.02 143.07 49.28 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.689 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.9 mtt -109.4 151.26 42.03 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.198 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.36 148.48 61.29 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 121.916 1.744 . . . . 0.0 112.284 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -167.47 -44.91 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 t0 50.37 -176.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.074 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.65 64.7 Favored Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 67.2 121.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.285 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -62.58 -40.68 97.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.474 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.3 t60 58.6 74.25 0.44 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -62.08 -40.75 96.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.586 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 67.9 t60 51.14 31.27 6.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.09 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 52.41 45.69 28.05 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.318 0.58 . . . . 0.0 110.572 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -66.41 -20.98 66.21 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.681 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.4 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.157 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -150.89 155.36 39.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.307 -179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -59.44 150.58 26.21 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.543 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 51.94 30.57 7.41 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -141.64 123.73 15.48 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -104.19 165.96 10.71 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.905 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 54.73 73.91 0.82 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -53.39 117.46 3.83 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.383 2.056 . . . . 0.0 112.848 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -58.24 160.3 5.21 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.8 ptp -56.94 -44.61 82.69 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.656 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.94 -38.5 82.61 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.396 0.147 . . . . 0.0 111.396 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -64.09 -49.73 71.11 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 123.451 0.47 . . . . 0.0 110.195 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.81 -48.07 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.06 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 75' ' ' ILE . 53.9 mt -61.33 -46.47 90.11 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.84 80.11 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.165 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -54.16 -36.74 63.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 105' ' ' GLU . 96.8 mt -59.32 -48.53 86.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 107.894 -1.151 . . . . 0.0 107.894 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -141.36 107.42 5.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.556 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -171.15 142.63 1.8 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.979 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -131.47 146.29 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 179.196 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -167.13 147.06 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.3 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.0 p -106.43 136.6 45.9 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.371 0.419 . . . . 0.0 110.656 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.91 156.35 44.89 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.489 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.16 146.3 54.38 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.759 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.95 -42.22 81.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.603 0.564 . . . . 0.0 111.408 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' CG ' ' A' ' 29' ' ' GLU . . . -83.63 120.46 75.33 Favored Pre-proline 0 CA--C 1.545 0.766 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.52 -16.4 34.34 Favored 'Trans proline' 0 N--CA 1.504 2.101 0 C-N-CA 122.032 1.822 . . . . 0.0 112.953 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.81 -4.43 59.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 26' ' ' ALA . 13.0 pt-20 -144.81 57.04 4.22 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.8 147.76 40.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.878 1.719 . . . . 0.0 112.439 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.88 156.12 30.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.049 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.52 141.84 35.28 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.415 0.447 . . . . 0.0 111.05 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -143.15 141.38 31.16 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.66 131.47 46.55 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.336 0.398 . . . . 0.0 110.718 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.07 100.43 0.37 Allowed Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.161 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.31 145.27 65.21 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -76.3 162.19 34.08 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.426 2.084 . . . . 0.0 112.802 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.23 164.8 8.1 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.35 2.033 . . . . 0.0 111.388 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -49.8 137.78 34.45 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.811 1.674 . . . . 0.0 111.638 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -71.44 154.49 60.62 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 122.134 1.89 . . . . 0.0 113.3 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -140.42 157.04 69.28 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.645 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.47 137.48 36.41 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.742 1.628 . . . . 0.0 112.041 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -160.02 81.39 2.37 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 -30.54 58.59 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 121.934 1.756 . . . . 0.0 112.025 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 43.57 55.66 11.95 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.302 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.05 138.76 31.55 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 122.001 1.801 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.99 -42.92 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.686 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -115.65 -21.45 9.68 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.742 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.4 t80 55.95 57.31 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.025 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -103.99 105.04 15.09 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.357 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -92.47 173.9 7.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.405 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -176.1 94.91 0.06 Allowed 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.85 127.03 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.444 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.7 -39.95 84.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.62 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 59.51 35.81 22.81 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.317 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -117.72 151.17 37.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.283 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.4 m -57.12 132.79 53.99 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.923 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.45 135.37 96.23 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.018 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.95 158.97 53.97 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.679 1.586 . . . . 0.0 111.721 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 tt -107.82 139.72 28.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.64 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.58 157.44 76.48 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -53.71 133.07 52.45 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.966 1.777 . . . . 0.0 111.996 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -159.64 99.75 1.51 Allowed Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.956 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.73 137.93 79.82 Favored 'Trans proline' 0 N--CA 1.503 2.072 0 C-N-CA 122.063 1.842 . . . . 0.0 113.029 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 56.67 33.83 23.51 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.397 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.3 mt 59.23 149.3 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.164 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.09 154.28 63.46 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.341 2.027 . . . . 0.0 112.211 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.49 151.68 44.41 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.18 1.92 . . . . 0.0 110.928 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.11 -44.43 97.36 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.242 0.339 . . . . 0.0 110.739 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -57.97 171.46 0.52 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 111.288 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 78.9 p -127.6 170.19 12.92 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.963 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 m -106.07 147.7 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -95.45 -177.69 37.13 Favored Glycine 0 C--N 1.332 0.361 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.23 165.65 26.53 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.694 HD11 HD21 ' A' ' 14' ' ' LEU . 19.0 tt -75.53 -34.43 29.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.529 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -159.89 151.49 19.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.0 t 60.45 99.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.837 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -72.06 132.1 43.78 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.767 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.0 m -63.66 153.07 84.69 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.402 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -53.06 139.59 61.41 Favored 'Trans proline' 0 N--CA 1.503 2.08 0 C-N-CA 122.092 1.862 . . . . 0.0 112.083 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.2 153.52 62.1 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.061 1.841 . . . . 0.0 112.339 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -113.91 104.66 54.98 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.664 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.8 145.19 61.96 Favored 'Trans proline' 0 N--CA 1.5 1.909 0 C-N-CA 121.906 1.737 . . . . 0.0 112.348 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.63 -167.09 1.77 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.809 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -91.1 165.25 13.6 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -127.54 64.41 63.05 Favored Pre-proline 0 CA--C 1.552 1.034 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.194 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -59.4 141.2 97.23 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.216 1.944 . . . . 0.0 112.169 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.55 95.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.999 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.93 -48.21 82.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.551 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 90' ' ' THR . 7.2 t -140.25 99.17 7.28 Favored Pre-proline 0 CA--C 1.547 0.859 0 O-C-N 123.364 0.415 . . . . 0.0 111.391 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.49 148.82 26.72 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.96 1.773 . . . . 0.0 111.964 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -71.64 156.88 56.94 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.265 1.977 . . . . 0.0 111.893 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.25 141.24 88.5 Favored 'Trans proline' 0 N--CA 1.502 1.988 0 C-N-CA 122.044 1.829 . . . . 0.0 111.806 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.26 137.03 50.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.21 155.51 12.02 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -58.53 142.61 98.28 Favored 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 122.118 1.879 . . . . 0.0 111.499 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -58.51 125.44 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.364 0.415 . . . . 0.0 110.307 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -138.72 118.96 13.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.11 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -102.3 -39.83 7.02 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.419 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 172.71 -70.62 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.13 39.06 31.36 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.698 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -114.77 -79.07 0.58 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.749 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.56 159.9 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.15 133.66 35.17 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.644 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' CD ' HD22 ' A' ' 14' ' ' LEU . 4.7 tp10 47.3 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.245 0.341 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.434 ' HG2' HG12 ' A' ' 108' ' ' VAL . 50.2 tt0 -87.69 -53.88 4.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.137 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 14' ' ' LEU . 15.5 tp 72.02 56.33 0.17 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.598 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.434 HG12 ' HG2' ' A' ' 106' ' ' GLN . 12.4 p -150.76 144.53 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.321 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -155.94 158.06 28.29 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.1 m -138.91 149.4 23.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 O-C-N 123.549 0.205 . . . . 0.0 110.79 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -149.66 139.08 21.47 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -143.25 -51.45 0.35 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.355 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.93 26.13 7.57 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.1 p -66.48 -37.31 84.8 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.79 151.86 30.95 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.98 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.62 -40.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 49.55 80.91 0.06 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.085 0.469 . . . . 0.0 110.949 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.8 m -123.28 123.2 40.22 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.02 -38.63 91.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 123.687 0.617 . . . . 0.0 111.396 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -148.93 162.6 39.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.15 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.51 74.23 0.35 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -155.82 145.54 21.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.656 ' CD1' ' HB3' ' A' ' 126' ' ' ALA . 57.8 tp -108.12 120.02 41.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.82 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.3 p -166.55 -31.44 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.6 m -109.16 -21.41 12.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.787 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.656 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . . . -60.51 -43.72 96.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.686 0.279 . . . . 0.0 110.534 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.5 mt -118.12 147.45 43.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.039 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.15 79.61 3.55 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 109.901 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 60.4 ttp -139.1 83.53 17.9 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.253 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.58 138.62 87.01 Favored 'Trans proline' 0 N--CA 1.504 2.094 0 C-N-CA 122.19 1.927 . . . . 0.0 112.159 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 53.1 176.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.155 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -106.55 16.14 24.98 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.655 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.84 2.13 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.14 145.18 53.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.11 129.43 44.92 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.796 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -62.93 -39.87 95.91 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.705 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 73.0 t60 55.69 66.6 1.17 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.524 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -68.0 146.33 53.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.55 -46.2 91.05 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.938 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -63.4 137.45 58.17 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.487 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -128.42 151.99 48.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.7 p30 -97.8 21.25 10.76 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.073 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -125.44 -27.69 3.42 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -81.09 145.07 31.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.94 33.44 1.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.53 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -129.32 73.61 81.53 Favored Pre-proline 0 CA--C 1.55 0.944 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -84.68 30.1 0.53 Allowed 'Trans proline' 0 N--CA 1.498 1.76 0 C-N-CA 122.48 2.12 . . . . 0.0 112.602 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -64.26 170.02 4.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.32 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.461 ' HA ' HD12 ' A' ' 13' ' ' ILE . 98.3 mtp -58.91 -36.87 75.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.449 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -48.09 -62.1 1.64 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -58.71 -40.08 82.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.112 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 10' ' ' MET . 93.1 mt -58.52 -46.96 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 O-C-N 122.994 0.183 . . . . 0.0 110.873 -178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.46 -37.78 87.25 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.06 93.49 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.988 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 17' ' ' ILE . 47.6 t -60.45 -50.14 74.74 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.681 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 16' ' ' SER . 16.4 tt 170.49 42.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 121.305 0.574 . . . . 0.0 109.784 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 45.43 25.03 0.2 Allowed 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.774 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -121.98 127.24 50.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.0 tt -55.33 165.25 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.399 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.5 mt -50.62 150.09 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.3 p -155.28 163.04 40.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 57.28 80.28 0.17 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 110.454 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.84 -45.43 90.05 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.863 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -82.12 57.8 3.7 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.512 0.672 . . . . 0.0 109.724 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.66 149.33 96.85 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.731 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.81 145.28 97.02 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 122.218 1.945 . . . . 0.0 112.228 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.3 145.95 39.74 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.347 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -151.25 56.56 2.04 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.536 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.28 151.43 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.909 1.739 . . . . 0.0 112.027 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.68 158.47 41.1 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.7 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -147.37 149.92 33.7 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.334 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -130.86 151.05 51.71 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.47 91.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.696 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.55 64.89 2.32 Favored Pre-proline 0 CA--C 1.55 0.974 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.64 162.82 41.17 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.409 2.073 . . . . 0.0 112.332 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -56.46 147.89 66.08 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.164 1.909 . . . . 0.0 112.009 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.83 157.36 60.53 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.069 1.846 . . . . 0.0 112.578 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.03 161.55 45.56 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 122.441 2.094 . . . . 0.0 112.157 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.74 154.95 71.84 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.183 1.922 . . . . 0.0 112.175 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -126.69 156.67 73.12 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.17 161.19 46.85 Favored 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 122.102 1.868 . . . . 0.0 112.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.62 69.95 8.95 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.12 -17.77 59.78 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.378 2.052 . . . . 0.0 112.565 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -127.07 74.87 76.9 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.236 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.49 -15.57 45.46 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.318 2.012 . . . . 0.0 112.879 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.4 161.26 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.79 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.9 p -146.93 167.35 24.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -160.54 135.87 7.97 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.66 140.58 50.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -101.87 133.05 47.25 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -172.67 71.3 0.04 OUTLIER 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 109.529 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -76.92 -33.99 21.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.093 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.2 mt -135.11 136.85 42.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' CG ' HG23 ' A' ' 57' ' ' THR . 24.1 pt-20 -64.19 -22.02 66.79 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.245 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.17 36.3 22.13 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.95 0.405 . . . . 0.0 111.462 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' CG ' ' A' ' 55' ' ' GLU . 67.4 p -74.33 155.6 38.01 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -93.23 151.6 40.52 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.02 -19.57 39.49 Favored 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 122.049 1.833 . . . . 0.0 112.343 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.2 mt -111.45 133.87 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -121.8 88.25 47.12 Favored Pre-proline 0 CA--C 1.545 0.78 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.459 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -59.26 146.99 92.88 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.376 2.051 . . . . 0.0 111.829 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.67 148.31 98.57 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 123.547 0.529 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.73 157.64 51.72 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.262 1.975 . . . . 0.0 112.396 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -126.82 143.36 51.28 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.764 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.86 -51.27 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.652 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.345 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.5 134.05 61.65 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 121.616 1.544 . . . . 0.0 111.836 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' HG21 ' A' ' 90' ' ' THR . 64.8 Cg_endo -86.56 -168.85 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.435 2.09 . . . . 0.0 112.549 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 69' ' ' LEU . 7.7 mp -67.0 -39.01 87.02 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.422 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 63.38 89.86 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.415 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.0 m -117.81 131.2 56.6 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.434 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.1 m -68.62 170.08 1.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.774 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.11 136.44 6.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -136.08 -159.85 1.0 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -122.62 -39.85 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.99 113.4 20.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.7 t -63.86 130.47 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -141.39 159.81 41.44 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.336 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.7 p -122.15 73.21 37.22 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -73.32 150.87 47.72 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.268 1.979 . . . . 0.0 111.762 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.88 -31.62 56.67 Favored 'Trans proline' 0 N--CA 1.501 1.957 0 C-N-CA 121.832 1.688 . . . . 0.0 111.91 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -160.46 149.12 13.43 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.832 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.3 -36.09 3.44 Favored 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 122.084 1.856 . . . . 0.0 113.196 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 49.26 30.3 3.07 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.399 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.6 m -117.54 114.99 24.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -138.45 148.85 60.75 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.991 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.79 112.87 1.61 Allowed 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 121.608 1.539 . . . . 0.0 111.672 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 175.74 -40.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.256 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.66 152.83 47.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.353 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.413 HG21 ' HD2' ' A' ' 68' ' ' PRO . 87.2 m -127.19 139.12 34.25 Favored Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.11 137.41 34.36 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 121.774 1.65 . . . . 0.0 111.662 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.76 -43.35 55.51 Favored 'Trans proline' 0 N--CA 1.508 2.347 0 C-N-CA 122.015 1.81 . . . . 0.0 113.814 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -56.55 142.06 90.33 Favored 'Trans proline' 0 N--CA 1.503 2.068 0 C-N-CA 121.752 1.635 . . . . 0.0 112.282 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.5 92.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.548 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 53.5 57.29 13.82 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.656 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -81.34 55.12 5.47 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.248 1.965 . . . . 0.0 112.024 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.7 t -108.5 -46.69 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.715 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -91.87 124.66 36.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.071 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.55 -169.01 1.77 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.284 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.1 -46.48 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.39 140.52 17.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.839 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -119.67 37.83 4.07 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.854 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 103' ' ' VAL . 9.3 p -179.35 55.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -171.37 162.19 6.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.496 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.576 ' O ' HD23 ' A' ' 107' ' ' LEU . 44.7 tp10 -134.68 135.56 42.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.105 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -85.16 110.51 19.05 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 105' ' ' GLU . 0.5 OUTLIER -155.31 26.13 0.41 Allowed 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.35 -179.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.86 159.93 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.726 0.298 . . . . 0.0 110.963 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.96 166.77 37.05 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.31 -25.89 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.1 t -141.24 136.76 32.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.585 0.231 . . . . 0.0 110.694 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -152.74 156.63 39.49 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.42 151.26 31.45 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 t -62.76 -61.11 2.64 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.886 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.92 150.95 21.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.526 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.75 13.5 0.27 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.363 0.414 . . . . 0.0 111.624 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -163.99 164.74 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.072 0.233 . . . . 0.0 110.724 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -118.63 -52.01 2.36 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.18 -62.68 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.391 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 47.7 t80 58.83 160.7 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 81.55 44.55 7.83 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.455 ' HB3' ' HB3' ' A' ' 126' ' ' ALA . 73.1 m -162.56 -72.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 20.6 tp -177.6 -62.93 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.208 0.318 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -174.97 -60.15 0.01 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.555 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.1 m -129.05 39.75 3.73 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.555 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 122' ' ' SER . . . -70.98 -40.8 71.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.796 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.41 135.9 56.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.718 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 80.7 mt -118.52 155.79 30.25 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.013 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 27.3 ttt -124.93 78.09 65.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.287 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.91 -17.49 32.32 Favored 'Trans proline' 0 N--CA 1.503 2.051 0 C-N-CA 122.374 2.049 . . . . 0.0 112.687 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.1 tttp 62.89 111.26 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -145.03 109.68 4.99 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.475 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -135.92 141.36 12.48 Favored Glycine 0 C--N 1.336 0.569 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 64.9 mt -143.56 146.0 32.98 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.554 0.216 . . . . 0.0 110.812 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 53.41 94.39 0.02 OUTLIER 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.639 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -63.32 -40.09 96.36 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -135.9 148.94 48.78 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -155.62 162.82 40.55 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -155.38 143.47 20.06 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -132.53 145.2 50.96 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.422 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 76.4 m80 . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.44 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -129.04 -37.43 1.7 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.206 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -61.2 -45.96 92.41 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.039 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -113.04 -55.4 2.53 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -65.8 137.2 57.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.586 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -102.43 4.79 39.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.205 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -129.37 70.46 81.79 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.73 122.43 8.19 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 121.699 1.6 . . . . 0.0 111.83 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.8 p -76.87 162.2 27.81 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 63.7 mtt -47.69 -42.55 25.2 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.31 -48.82 79.62 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.86 -38.41 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.841 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.62 -47.82 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 123.252 0.345 . . . . 0.0 110.874 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 HD11 ' A' ' 75' ' ' ILE . 10.5 tt -59.38 -43.22 92.94 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.72 87.56 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 t -49.65 -48.9 48.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.669 -176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.467 HD12 ' OE1' ' A' ' 105' ' ' GLU . 78.1 mt -90.05 -58.57 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -78.76 143.92 35.68 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 52.9 48.12 23.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.329 0.585 . . . . 0.0 110.801 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -49.03 148.85 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -119.07 128.68 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -148.3 139.24 23.12 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.221 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -125.33 136.41 53.45 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.382 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -160.2 153.22 21.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.211 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.31 11.06 35.98 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.958 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.94 155.6 91.42 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-O 119.5 -0.286 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.61 -37.0 73.8 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 122.202 1.934 . . . . 0.0 112.253 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.52 138.26 51.22 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.809 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -102.99 -46.77 0.17 Allowed Pre-proline 0 CA--C 1.539 0.531 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.206 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.25 153.53 52.53 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.59 1.526 . . . . 0.0 112.03 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.79 138.74 28.96 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.04 162.91 36.73 Favored 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.354 0.409 . . . . 0.0 111.113 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -129.35 161.69 29.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.382 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.59 148.86 34.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.56 163.01 25.64 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.66 145.11 83.49 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 121.938 1.759 . . . . 0.0 111.485 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.6 139.43 82.79 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.914 1.743 . . . . 0.0 112.134 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.61 155.68 49.68 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.085 1.856 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.04 157.4 57.93 Favored 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.213 1.942 . . . . 0.0 111.748 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.11 -25.27 51.11 Favored 'Trans proline' 0 N--CA 1.5 1.9 0 C-N-CA 122.14 1.894 . . . . 0.0 112.755 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.82 72.54 68.43 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.963 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.88 140.7 35.62 Favored 'Trans proline' 0 N--CA 1.501 1.92 0 C-N-CA 121.922 1.748 . . . . 0.0 112.191 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -132.71 70.95 79.03 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.404 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.21 138.82 37.25 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.843 1.695 . . . . 0.0 112.162 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.84 63.05 5.57 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.49 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -63.43 -31.72 71.97 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.959 1.773 . . . . 0.0 112.151 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 48' ' ' SER . 9.3 p -175.99 -48.84 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.54 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 47' ' ' VAL . 46.0 m -166.1 -27.89 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.237 0.336 . . . . 0.0 111.765 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -127.86 138.73 52.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -94.17 -176.69 4.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.994 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.56 79.22 0.3 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.095 0.474 . . . . 0.0 110.29 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -170.52 132.06 0.95 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.14 153.7 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.287 0.367 . . . . 0.0 110.324 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 54' ' ' LEU . 1.4 pt? -170.5 168.03 7.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -132.48 138.31 47.53 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.112 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.4 tp -122.76 118.39 27.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.237 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.9 p -131.02 156.83 44.48 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.545 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -91.62 120.3 68.2 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -58.22 140.62 94.97 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.961 1.774 . . . . 0.0 111.997 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.5 tt -148.02 137.45 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.489 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.98 149.18 94.82 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.4 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 140.58 93.99 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.014 1.809 . . . . 0.0 112.016 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -155.27 157.35 31.72 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -83.5 55.16 4.86 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.195 1.93 . . . . 0.0 112.022 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.18 -40.78 86.76 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.681 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 66' ' ' LEU . 4.6 pp -115.93 156.36 46.71 Favored Pre-proline 0 CA--C 1.539 0.558 0 CA-C-O 119.473 -0.299 . . . . 0.0 110.711 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.1 157.57 53.93 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.343 2.029 . . . . 0.0 112.658 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.62 161.61 45.42 Favored 'Trans proline' 0 N--CA 1.5 1.899 0 C-N-CA 122.311 2.008 . . . . 0.0 111.85 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt 61.94 153.71 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.414 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 52.17 82.0 0.07 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.548 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.0 p -131.26 160.99 33.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.815 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.8 t -78.0 128.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.67 42.56 0.28 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -143.85 105.93 4.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.788 -0.206 . . . . 0.0 110.538 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 HD22 ' A' ' 14' ' ' LEU . 96.4 mt -61.9 -47.9 91.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -166.0 72.17 0.15 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.441 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.5 p -155.53 137.03 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.195 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -138.36 156.34 47.7 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 t 67.21 87.52 0.12 Allowed Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.413 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.84 164.42 34.69 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.509 2.139 . . . . 0.0 112.441 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.78 -176.42 0.73 Allowed 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 122.315 2.01 . . . . 0.0 112.383 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -60.36 152.15 65.54 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.993 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.17 -178.4 2.48 Favored 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.34 2.027 . . . . 0.0 112.786 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 49.22 33.43 5.09 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.234 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.5 p -163.47 162.07 24.51 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -137.45 58.0 15.84 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.87 153.78 63.64 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.179 1.919 . . . . 0.0 112.427 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.66 -71.72 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -144.59 129.15 18.07 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -77.48 130.82 73.08 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.52 139.86 88.33 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 121.742 1.628 . . . . 0.0 111.817 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.09 154.35 52.36 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 122.089 1.859 . . . . 0.0 112.424 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -55.38 -31.87 79.24 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.239 1.959 . . . . 0.0 111.931 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 70.96 121.02 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.916 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.13 90.86 5.64 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.891 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.65 -41.43 61.46 Favored 'Trans proline' 0 N--CA 1.502 2.001 0 C-N-CA 121.963 1.775 . . . . 0.0 112.076 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.6 t 40.37 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 123.535 0.522 . . . . 0.0 111.304 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -92.37 102.9 15.38 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -120.86 36.56 4.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.375 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 67.42 26.86 8.23 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.52 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -121.25 145.19 48.12 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -157.4 156.06 31.58 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 123.135 0.272 . . . . 0.0 110.873 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.7 m 42.07 70.08 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 121.53 0.681 . . . . 0.0 112.313 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.85 86.48 2.48 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.182 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' OE1' HD12 ' A' ' 17' ' ' ILE . 22.1 tt0 55.48 22.05 4.79 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.706 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -76.24 125.32 28.95 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 14' ' ' LEU . 76.1 mt -124.48 102.89 7.87 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.81 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.7 m -137.39 159.48 35.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.82 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -132.38 143.4 15.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.551 -1.019 . . . . 0.0 110.551 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.86 -46.21 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.5 t 47.09 66.61 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.329 0.585 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.13 99.57 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.051 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.93 63.47 1.32 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.344 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.0 t -118.81 122.81 43.26 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.58 -60.33 0.24 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -173.79 63.66 0.02 OUTLIER 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.308 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -116.61 116.11 26.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.007 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.6 p -160.46 160.01 31.58 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.04 145.05 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.358 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.96 -43.82 2.33 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.848 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -170.55 177.63 43.6 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.1 t -137.39 147.32 45.37 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.762 0.315 . . . . 0.0 111.063 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 123' ' ' LEU . 7.5 mp -61.69 -38.51 88.11 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.1 p -160.81 157.95 27.62 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.7 t -140.28 151.01 44.76 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.196 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.96 172.17 8.12 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.549 0.531 . . . . 0.0 110.071 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.11 149.8 52.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 128' ' ' LEU . 8.2 mp -74.6 145.91 42.94 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.191 0.307 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 57.0 ttm -61.42 132.4 92.78 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.98 152.26 62.82 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.011 1.807 . . . . 0.0 112.494 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -63.13 133.54 54.57 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.132 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -85.88 135.66 33.61 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.54 -157.35 30.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 77.0 mt 57.53 177.88 0.05 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.32 143.56 46.89 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.557 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -69.45 -18.76 63.75 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.799 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -64.31 137.4 57.89 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 54.67 41.98 31.56 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.265 0.555 . . . . 0.0 110.231 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -106.62 110.05 22.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.135 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -99.36 -53.69 3.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.612 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.696 -179.812 . . . . . . . . 0 0 . 1 stop_ save_