data_1tz5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1tz5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 119.711 -0.185 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.383 0.135 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.414 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.433 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.427 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.667 -0.206 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -71.56 -57.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.529 2.153 . . . . 0.0 111.907 -174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.12 92.68 0.35 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.597 1.959 . . . . 0.0 110.234 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -124.87 76.99 66.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 O-C-N 121.625 -0.672 . . . . 0.0 109.363 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.89 152.4 41.32 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.901 2.401 . . . . 0.0 110.218 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t 64.36 152.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.97 1.708 . . . . 0.0 110.612 -172.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 t80 58.92 78.99 0.32 Allowed Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.911 0.884 . . . . 0.0 113.062 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.68 171.55 13.06 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.654 2.236 . . . . 0.0 112.503 -175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.08 65.27 0.57 Allowed Glycine 0 N--CA 1.467 0.738 0 C-N-CA 124.686 1.136 . . . . 0.0 111.837 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.83 157.14 33.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.676 1.59 . . . . 0.0 109.448 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 66.43 100.55 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.808 1.643 . . . . 0.0 112.463 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.08 177.69 4.24 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.98 0.895 . . . . 0.0 111.804 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.54 143.03 15.7 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 124.554 1.142 . . . . 0.0 110.514 -174.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.33 -34.53 54.87 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.914 2.409 . . . . 0.0 111.996 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -18.3 64.57 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.469 1.107 . . . . 0.0 112.576 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 123.981 0.912 . . . . 0.0 110.943 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt -60.78 -43.97 97.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.62 -23.02 67.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.678 1.191 . . . . 0.0 113.439 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 m -105.38 33.59 3.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.986 1.714 . . . . 0.0 110.81 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.07 160.49 6.2 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.522 -0.736 . . . . 0.0 112.867 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.4 97.32 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.248 2.632 . . . . 0.0 110.894 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -138.18 59.84 1.64 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.99 0.916 . . . . 0.0 111.787 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -72.4 138.96 47.54 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.651 1.215 . . . . 0.0 111.171 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 118.509 -2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 116.61 -1.662 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -74.81 -34.74 3.83 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.454 2.103 . . . . 0.0 113.214 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.41 112.85 2.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.193 0.997 . . . . 0.0 109.833 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -112.36 152.94 44.91 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.314 1.046 . . . . 0.0 111.132 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.5 54.89 4.03 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.531 3.487 . . . . 0.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t 64.7 156.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 127.354 2.262 . . . . 0.0 110.92 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.04 84.25 58.38 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 121.274 -0.891 . . . . 0.0 110.489 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -71.7 -8.15 22.57 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.632 2.221 . . . . 0.0 113.418 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.95 -42.13 1.99 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.264 1.888 . . . . 0.0 112.237 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 65.56 87.77 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.32 1.06 . . . . 0.0 111.928 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 48.67 54.7 10.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.005 1.322 . . . . 0.0 113.731 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.16 90.64 0.06 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -49.5 136.61 17.37 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 123.208 0.603 . . . . 0.0 112.161 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.12 -15.06 47.23 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.925 1.75 . . . . 0.0 111.903 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -86.31 -13.23 47.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 113.724 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -102.07 -35.35 8.97 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.792 1.237 . . . . 0.0 111.073 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm -70.15 -29.14 65.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -73.65 -24.55 60.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.57 1.148 . . . . 0.0 112.157 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -96.95 -7.77 32.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.03 1.332 . . . . 0.0 113.322 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -54.64 53.57 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.812 1.645 . . . . 0.0 112.521 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.69 78.65 3.02 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.687 2.258 . . . . 0.0 111.263 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 89.1 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.736 1.614 . . . . 0.0 110.424 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 -56.52 1.51 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.494 1.517 . . . . 0.0 111.7 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.264 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 117.09 -1.434 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.51 74.7 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.361 2.04 . . . . 0.0 108.119 170.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 150.78 2.33 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.09 151.54 0.9 Allowed Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.865 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -68.99 1.97 3.49 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 113.243 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t 58.69 12.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.775 2.43 . . . . 0.0 111.408 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -151.38 87.77 4.48 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 127.47 2.308 . . . . 0.0 109.109 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -69.17 -7.49 21.02 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.616 2.211 . . . . 0.0 113.635 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.32 115.17 1.69 Allowed Glycine 0 C--O 1.215 -1.046 0 C-N-CA 126.189 1.852 . . . . 0.0 110.438 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.12 175.77 0.13 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.395 1.478 . . . . 0.0 112.902 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -155.21 70.11 0.73 Allowed 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 122.342 1.068 . . . . 0.0 109.705 171.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.05 164.21 39.21 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.677 -0.639 . . . . 0.0 110.231 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.23 142.23 1.2 Allowed Pre-proline 0 C--O 1.242 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 110.0 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.86 -10.37 22.39 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.702 2.268 . . . . 0.0 112.267 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -9.56 27.65 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -104.91 -32.9 8.56 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.892 1.224 . . . . 0.0 110.717 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp -72.16 -38.26 69.19 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.36 -31.17 71.79 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.764 1.226 . . . . 0.0 112.533 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -91.43 -19.74 22.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.12 146.72 0.09 OUTLIER Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 129.825 3.25 . . . . 0.0 111.553 -170.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.5 54.6 2.43 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 122.619 2.212 . . . . 0.0 112.117 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -68.5 -17.01 64.08 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.838 -1.164 . . . . 0.0 112.62 172.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.51 123.05 40.37 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 125.759 1.624 . . . . 0.0 110.414 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 118.97 -2.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.74 120.16 6.28 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.645 2.897 . . . . 0.0 111.173 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -161.66 116.28 1.98 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.077 1.351 . . . . 0.0 108.588 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 112.73 11.67 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.131 0.572 . . . . 0.0 110.426 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.68 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.896 2.397 . . . . 0.0 114.029 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.53 166.23 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.824 2.45 . . . . 0.0 108.515 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.28 77.37 0.46 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.571 1.149 . . . . 0.0 113.013 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.46 -1.47 9.1 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.402 2.735 . . . . 0.0 113.915 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -54.17 4.03 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.994 1.759 . . . . 0.0 112.13 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.82 172.89 6.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.847 1.259 . . . . 0.0 110.99 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -59.29 -78.26 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.535 1.534 . . . . 0.0 111.399 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.03 89.35 2.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.37 1.868 . . . . 0.0 107.996 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -55.42 137.23 69.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.009 0.923 . . . . 0.0 111.229 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -64.29 -20.03 66.3 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.074 1.849 . . . . 0.0 111.686 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.79 -14.28 56.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.347 1.059 . . . . 0.0 113.295 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.96 -36.76 9.64 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.917 0.887 . . . . 0.0 110.875 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp -59.02 -38.58 79.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.76 -20.47 66.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.104 1.362 . . . . 0.0 113.121 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 m -110.97 34.56 3.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.897 1.679 . . . . 0.0 109.755 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 158.95 6.91 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 123.912 0.885 . . . . 0.0 112.318 174.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.25 92.18 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.127 2.551 . . . . 0.0 110.587 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -136.07 55.06 1.87 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.264 1.026 . . . . 0.0 112.218 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 57.42 71.83 0.55 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.56 1.648 . . . . 0.0 113.209 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.41 62.08 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.468 3.445 . . . . 0.0 111.091 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -168.62 1.95 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.749 1.219 . . . . 0.0 110.404 169.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 67.73 70.6 0.44 Allowed Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.309 1.444 . . . . 0.0 108.782 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.36 -168.23 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.465 2.11 . . . . 0.0 111.059 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -46.3 154.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.179 0.991 . . . . 0.0 111.393 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 62.32 163.11 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 113.266 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -69.27 127.89 15.67 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.415 1.41 . . . . 0.0 110.306 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.5 -39.81 24.79 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.618 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 63.19 177.78 0.15 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.928 1.691 . . . . 0.0 112.536 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.92 51.17 1.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.883 -1.76 . . . . 0.0 111.734 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.43 -169.92 0.08 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.517 1.527 . . . . 0.0 112.181 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.77 141.51 13.32 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 121.001 -1.062 . . . . 0.0 110.827 177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.96 -18.91 63.53 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.393 2.062 . . . . 0.0 111.628 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -21.1 34.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.441 0.696 . . . . 0.0 112.801 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -94.31 -39.8 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.218 1.007 . . . . 0.0 110.394 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -78.07 -26.62 48.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -42.94 57.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.3 1.04 . . . . 0.0 111.67 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.1 -1.18 56.7 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -52.9 50.06 Favored Pre-proline 0 N--CA 1.469 0.483 0 C-N-CA 126.033 1.733 . . . . 0.0 112.662 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -74.68 105.25 2.03 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.006 1.804 . . . . 0.0 110.446 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.61 86.79 0.38 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.736 1.215 . . . . 0.0 110.51 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -106.45 148.61 27.94 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.881 0.872 . . . . 0.0 111.945 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.85 0 O-C-N 119.54 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 117.017 -1.468 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.94 62.72 5.86 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.79 2.993 . . . . 0.0 110.675 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.48 174.79 4.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.121 1.768 . . . . 0.0 109.938 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.06 142.33 13.84 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -65.53 124.67 13.17 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.357 2.038 . . . . 0.0 109.679 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -52.4 151.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 123.772 0.829 . . . . 0.0 110.598 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -27.06 91.79 0.05 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.104 2.161 . . . . 0.0 113.746 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -79.06 -5.26 14.41 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.096 1.864 . . . . 0.0 112.713 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.79 -95.14 0.11 Allowed Glycine 0 C--N 1.343 0.924 0 C-N-CA 126.012 1.768 . . . . 0.0 111.657 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 39.9 79.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.95 2.1 . . . . 0.0 114.09 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.26 77.58 0.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.851 1.31 . . . . 0.0 111.206 -170.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 176.24 5.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.398 1.079 . . . . 0.0 111.215 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -52.89 103.72 0.39 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.455 2.302 . . . . 0.0 112.549 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.42 -43.24 3.07 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.132 2.555 . . . . 0.0 111.879 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.27 -17.18 64.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.364 1.466 . . . . 0.0 112.512 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -99.89 -27.94 13.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.32 1.848 . . . . 0.0 112.147 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp -58.83 -46.26 88.07 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.61 -21.8 66.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.358 1.463 . . . . 0.0 113.18 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -106.15 20.58 18.73 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.905 1.682 . . . . 0.0 110.794 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -48.78 -55.91 17.68 Favored Pre-proline 0 N--CA 1.473 0.721 0 O-C-N 121.072 -1.018 . . . . 0.0 112.774 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -75.49 94.95 0.98 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.42 2.08 . . . . 0.0 110.492 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.32 -39.71 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.888 1.275 . . . . 0.0 111.669 175.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 135.99 47.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.372 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 119.638 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD2' ' H2 ' ' A' ' 1' ' ' ALA . 56.0 Cg_endo -71.3 176.46 7.88 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 121.702 1.601 . . . . 0.0 110.774 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.17 138.74 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.804 2.042 . . . . 0.0 112.249 -174.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.17 152.58 96.39 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 121.342 -0.849 . . . . 0.0 111.76 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.73 56.19 3.43 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.231 3.287 . . . . 0.0 113.405 -176.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t 64.14 152.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 109.832 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 54.19 87.08 0.15 Allowed Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.8 68.17 3.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.841 2.361 . . . . 0.0 111.961 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.34 103.76 0.47 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.27 1.89 . . . . 0.0 111.783 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.7 166.45 13.14 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.427 0.691 . . . . 0.0 111.117 174.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -133.21 81.68 1.95 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.223 1.409 . . . . 0.0 110.513 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.4 171.7 7.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.443 0.697 . . . . 0.0 111.015 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 t -53.22 137.44 48.77 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 123.967 0.907 . . . . 0.0 112.114 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -64.43 -18.68 63.87 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -14.02 56.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 0.0 113.038 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.03 -35.83 9.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.121 0.968 . . . . 0.0 110.43 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.1 -19.66 50.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.084 1.354 . . . . 0.0 112.289 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 p -90.43 -21.45 21.91 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.557 1.143 . . . . 0.0 112.896 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.23 92.47 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 114.006 173.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -75.7 -0.64 10.42 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.157 2.571 . . . . 0.0 114.538 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 161.01 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.424 3.09 . . . . 0.0 113.758 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.58 -46.8 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 124.836 1.254 . . . . 0.0 111.145 -172.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.339 -2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -70.03 109.68 2.42 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.839 2.359 . . . . 0.0 109.812 175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 171.57 2.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.866 0.841 . . . . 0.0 111.535 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 156.13 32.11 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.201 0.6 . . . . 0.0 112.367 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.53 -173.63 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.255 2.636 . . . . 0.0 111.653 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -41.71 123.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.395 1.478 . . . . 0.0 111.939 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.05 86.9 4.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -173.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.74 145.86 47.16 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.593 1.529 . . . . 0.0 110.291 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.61 89.79 0.11 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t70 68.47 168.66 0.28 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.621 1.968 . . . . 0.0 112.983 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -138.11 80.47 1.8 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.788 1.235 . . . . 0.0 109.662 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.64 -174.37 1.86 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.525 1.93 . . . . 0.0 108.431 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 84.96 155.51 0.11 Allowed Pre-proline 0 N--CA 1.47 0.546 0 C-N-CA 127.556 2.342 . . . . 0.0 112.327 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.32 -37.42 10.26 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.136 2.557 . . . . 0.0 112.107 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -24.2 67.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.308 1.043 . . . . 0.0 113.063 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -93.39 -35.7 12.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.219 1.008 . . . . 0.0 111.168 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm -64.69 -45.57 86.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -47.62 80.08 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 123.875 0.87 . . . . 0.0 111.17 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 m -93.23 30.02 1.77 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.978 0.911 . . . . 0.0 110.83 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -54.49 37.18 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.486 1.115 . . . . 0.0 112.607 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -76.19 82.51 2.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.377 2.052 . . . . 0.0 111.201 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttp85 -163.64 87.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.161 1.384 . . . . 0.0 111.25 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.3 t80 53.73 77.95 0.17 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.785 1.755 . . . . 0.0 112.88 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 118.596 -2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 117.391 -1.29 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.72 153.72 64.35 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.429 1.419 . . . . 0.0 110.656 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 50.11 66.81 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.087 1.355 . . . . 0.0 112.028 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -56.35 36.63 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.97 0.908 . . . . 0.0 112.75 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -76.77 107.21 2.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.716 2.278 . . . . 0.0 111.053 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -59.02 143.12 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.14 0.976 . . . . 0.0 109.327 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.05 89.62 8.44 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.079 1.351 . . . . 0.0 110.051 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.45 -6.26 18.07 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.886 2.391 . . . . 0.0 113.9 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.12 100.72 2.52 Favored Glycine 0 C--N 1.346 1.125 0 C-N-CA 125.533 1.539 . . . . 0.0 111.137 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -133.1 83.05 2.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.844 0.857 . . . . 0.0 109.803 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -157.75 97.64 1.59 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.343 1.057 . . . . 0.0 110.263 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.65 179.89 3.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.351 1.06 . . . . 0.0 110.835 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.9 145.07 23.72 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.011 0.924 . . . . 0.0 110.533 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 16' ' ' GLN . 41.6 Cg_endo -71.15 153.7 62.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.066 2.511 . . . . 0.0 110.858 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 55.73 4.7 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.933 1.693 . . . . 0.0 113.937 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' PRO . 14.2 tp60 -103.97 -36.29 7.82 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 120.718 -1.238 . . . . 0.0 110.479 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.3 79.91 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.58 -28.24 64.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.687 0.795 . . . . 0.0 113.075 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 m -105.12 20.95 17.96 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.48 1.112 . . . . 0.0 111.446 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -58.89 -55.49 45.78 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 124.293 1.037 . . . . 0.0 112.781 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.25 84.31 1.86 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.506 2.138 . . . . 0.0 110.847 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 84.48 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.105 1.362 . . . . 0.0 111.142 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.93 119.98 12.8 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 110.884 -177.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 116.932 -1.509 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -69.22 158.85 56.1 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.21 1.273 . . . . 0.0 110.552 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.55 142.88 39.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.997 1.319 . . . . 0.0 109.312 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.85 169.18 0.07 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.721 1.608 . . . . 0.0 113.783 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -75.17 150.61 37.69 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 121.808 1.672 . . . . 0.0 111.606 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.1 t -85.72 18.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.321 1.049 . . . . 0.0 110.904 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.9 154.31 52.96 Favored Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.701 1.6 . . . . 0.0 110.818 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -71.79 -3.65 13.56 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.89 2.393 . . . . 0.0 113.22 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.58 -60.96 4.82 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.257 1.408 . . . . 0.0 110.852 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.78 121.99 5.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.987 1.715 . . . . 0.0 110.019 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -172.06 73.09 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.215 1.006 . . . . 0.0 111.36 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.76 107.53 0.06 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.407 1.483 . . . . 0.0 112.024 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.67 160.37 50.89 Favored Pre-proline 0 C--O 1.243 0.722 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -174.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -68.5 -11.03 30.78 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.791 2.327 . . . . 0.0 113.087 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 -14.15 13.36 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.644 1.177 . . . . 0.0 112.856 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -97.56 -23.95 15.77 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.7 1.6 . . . . 0.0 111.83 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm -62.96 -12.89 28.62 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.36 -26.93 56.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.993 1.317 . . . . 0.0 111.698 172.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.0 p -146.12 69.94 1.22 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.541 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.99 -60.21 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 126.858 2.063 . . . . 0.0 112.442 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.9 118.03 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.856 3.038 . . . . 0.0 109.24 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 165.22 -30.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.968 2.907 . . . . 0.0 112.821 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 50.72 78.86 0.1 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.335 1.454 . . . . 0.0 112.179 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 118.731 -2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 116.968 -1.492 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -69.54 168.85 20.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.605 1.537 . . . . 0.0 111.226 174.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.82 133.02 34.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.807 0.843 . . . . 0.0 110.235 175.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -55.69 16.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 124.11 0.964 . . . . 0.0 112.413 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -72.62 163.21 39.17 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.427 1.418 . . . . 0.0 111.059 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 m -64.84 176.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 122.123 0.963 . . . . 0.0 111.39 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -91.22 154.18 44.73 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.369 1.067 . . . . 0.0 111.811 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -73.8 -14.48 24.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.995 2.463 . . . . 0.0 113.069 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.14 94.5 1.48 Allowed Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.109 1.337 . . . . 0.0 110.597 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.99 146.27 31.29 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.082 0.953 . . . . 0.0 109.344 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 65.98 119.19 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.656 1.182 . . . . 0.0 110.906 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.98 -170.4 0.05 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.261 1.029 . . . . 0.0 111.009 170.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.07 144.02 36.31 Favored Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 120.697 -1.252 . . . . 0.0 109.932 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -67.77 152.71 77.27 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.986 1.791 . . . . 0.0 110.269 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 61.41 -8.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.69 1.596 . . . . 0.0 114.835 -172.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -96.7 -31.72 12.54 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.398 -1.439 . . . . 0.0 111.956 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp -59.67 -35.07 73.72 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.35 -34.5 77.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.882 0.873 . . . . 0.0 112.196 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -148.02 72.18 1.21 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.218 1.407 . . . . 0.0 112.13 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 155.29 9.89 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.644 1.177 . . . . 0.0 112.684 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.08 15.52 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.694 2.929 . . . . 0.0 113.307 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -50.4 -26.65 5.22 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.987 1.715 . . . . 0.0 112.75 172.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.51 -47.5 4.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.665 1.986 . . . . 0.0 113.239 174.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 119.53 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 116.685 -1.626 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -70.1 -79.05 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.222 1.948 . . . . 0.0 110.633 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -169.14 38.28 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.024 1.33 . . . . 0.0 112.202 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.07 65.53 5.33 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 125.778 1.631 . . . . 0.0 112.124 -169.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.92 54.62 4.14 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.176 3.251 . . . . 0.0 111.485 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 m 47.36 -153.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 128.226 2.61 . . . . 0.0 111.078 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -113.3 86.08 9.33 Favored Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 121.299 -0.876 . . . . 0.0 109.908 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -73.67 172.31 16.05 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.621 2.214 . . . . 0.0 111.148 174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -31.39 4.74 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.827 1.203 . . . . 0.0 112.655 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.74 151.57 10.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.04 0.924 . . . . 0.0 111.66 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.53 103.16 1.57 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.903 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.59 -175.15 3.44 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.253 1.021 . . . . 0.0 110.811 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 160.33 75.15 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 122.941 0.496 . . . . 0.0 110.517 -177.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.28 -10.37 28.41 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.771 2.314 . . . . 0.0 112.971 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -115.44 -10.15 12.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.818 1.247 . . . . 0.0 112.884 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -100.6 -25.31 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.914 1.286 . . . . 0.0 112.111 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -25.98 48.05 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.85 -25.68 61.2 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.448 -1.408 . . . . 0.0 112.875 172.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.46 63.28 1.32 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.384 1.074 . . . . 0.0 112.484 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.59 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.288 1.835 . . . . 0.0 112.854 175.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -75.13 122.13 6.96 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.17 2.58 . . . . 0.0 109.649 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -37.79 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.927 2.091 . . . . 0.0 111.787 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -150.79 98.31 2.59 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 126.282 1.833 . . . . 0.0 109.445 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.568 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.81 159.43 53.38 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.261 1.974 . . . . 0.0 111.157 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.83 135.34 51.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 110.893 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -96.2 161.84 25.75 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -74.82 112.64 3.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.831 3.021 . . . . 0.0 111.628 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.53 144.05 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.101 1.36 . . . . 0.0 108.297 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.92 157.74 76.44 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 110.209 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -74.37 -11.63 22.76 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.595 2.197 . . . . 0.0 113.456 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.88 48.7 76.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.751 1.643 . . . . 0.0 113.569 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.63 87.53 0.11 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.408 2.283 . . . . 0.0 112.116 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -147.96 95.05 2.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.565 -0.709 . . . . 0.0 111.575 -174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.57 163.46 37.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.194 1.398 . . . . 0.0 110.452 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.15 160.73 28.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.472 0.709 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.49 -40.53 2.92 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 123.556 2.838 . . . . 0.0 112.711 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -62.89 -24.76 67.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.724 1.209 . . . . 0.0 112.429 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -89.43 -23.87 22.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.798 1.239 . . . . 0.0 112.023 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -24.69 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -55.21 22.51 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.66 1.184 . . . . 0.0 109.795 175.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.4 m -93.12 6.11 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.413 0.685 . . . . 0.0 112.177 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -50.22 67.69 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.325 1.45 . . . . 0.0 113.932 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.26 8.5 3.83 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.925 2.417 . . . . 0.0 113.663 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.34 74.41 0.44 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 126.968 2.107 . . . . 0.0 112.013 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.69 138.97 27.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.757 0.789 . . . . 0.0 111.189 -175.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 119.792 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -69.17 -31.8 22.37 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.689 1.592 . . . . 0.0 113.112 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.97 115.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 128.013 2.525 . . . . 0.0 112.073 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 67.77 3.9 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.914 1.286 . . . . 0.0 112.372 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.53 80.65 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 123.471 2.781 . . . . 0.0 111.753 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.82 154.02 35.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 126.621 1.968 . . . . 0.0 109.625 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -123.41 151.78 63.47 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 110.205 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -72.62 132.62 19.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.884 2.389 . . . . 0.0 110.439 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.5 53.38 0.67 Allowed Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.307 0.956 . . . . 0.0 112.846 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 58.05 85.55 0.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.853 2.061 . . . . 0.0 112.904 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -164.02 86.78 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.14 0.976 . . . . 0.0 110.12 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 164.91 26.82 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.389 0.676 . . . . 0.0 110.743 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -146.6 157.6 47.79 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 123.973 0.909 . . . . 0.0 110.135 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.51 -5.44 15.21 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.831 2.354 . . . . 0.0 113.367 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.73 -18.62 14.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.595 1.158 . . . . 0.0 112.708 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -98.4 -34.58 10.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 110.831 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt -105.38 -28.83 10.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.49 -58.97 5.25 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.149 1.779 . . . . 0.0 109.186 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -71.34 -25.45 62.41 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.764 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 60.37 143.29 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 129.712 3.205 . . . . 0.0 111.023 -170.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 60.06 3.96 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.326 2.017 . . . . 0.0 110.628 167.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -71.64 -13.25 61.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.912 1.285 . . . . 0.0 111.756 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -82.49 145.57 29.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.216 1.406 . . . . 0.0 111.894 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.529 -1.224 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.82 -36.72 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.194 2.596 . . . . 0.0 114.162 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.63 96.66 5.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.138 1.375 . . . . 0.0 108.296 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.55 154.74 63.15 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.769 0.827 . . . . 0.0 112.789 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.76 119.05 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.102 2.535 . . . . 0.0 111.682 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -19.43 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.437 0.695 . . . . 0.0 112.588 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -163.86 83.4 1.34 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 111.517 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.61 103.26 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.45 2.767 . . . . 0.0 111.529 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.35 75.86 0.2 Allowed Glycine 0 C--N 1.343 0.937 0 C-N-CA 123.916 0.769 . . . . 0.0 112.365 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 48.78 80.25 0.06 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.399 2.28 . . . . 0.0 113.472 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.26 -90.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.138 0.975 . . . . 0.0 111.847 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.7 152.18 22.77 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.868 1.267 . . . . 0.0 110.452 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.01 157.91 87.91 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 0.0 111.973 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -69.47 -41.35 4.73 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 112.292 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -28.9 69.6 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 0.0 111.848 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -24.91 28.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.179 0.992 . . . . 0.0 112.054 173.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.414 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.7 -34.62 69.78 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.3 mt -63.6 -22.26 66.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 172.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.3 m -121.98 21.35 10.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.003 1.721 . . . . 0.0 111.016 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -66.42 -56.99 13.58 Favored Pre-proline 0 N--CA 1.473 0.695 0 O-C-N 120.702 -1.248 . . . . 0.0 111.777 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -73.49 150.75 46.57 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 121.49 1.46 . . . . 0.0 110.207 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.03 67.53 0.99 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.866 1.666 . . . . 0.0 113.301 -175.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -154.97 136.43 14.18 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.56 1.144 . . . . 0.0 111.134 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.553 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.13 153.33 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.785 2.323 . . . . 0.0 112.239 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.41 70.53 0.89 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.155 1.382 . . . . 0.0 113.145 -174.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.34 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.756 2.022 . . . . 0.0 110.092 -174.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 63.83 8.21 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.619 2.879 . . . . 0.0 111.079 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -10.13 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.77 2.028 . . . . 0.0 112.43 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 54.88 83.36 0.23 Allowed Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 126.111 1.765 . . . . 0.0 111.528 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.85 145.27 61.91 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.483 1.455 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.38 -69.7 0.36 Allowed Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.879 1.228 . . . . 0.0 111.631 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -134.89 126.61 29.06 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.656 1.583 . . . . 0.0 109.952 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 53.18 69.83 0.66 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.068 1.747 . . . . 0.0 114.409 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.31 155.35 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.374 1.069 . . . . 0.0 108.454 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t 52.6 140.79 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.641 2.776 . . . . 0.0 115.057 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -66.1 -21.73 55.52 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 O-C-N 119.057 -1.075 . . . . 0.0 111.536 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -16.88 61.06 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -102.34 -36.99 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.675 1.19 . . . . 0.0 110.533 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.75 78.05 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.31 -27.24 67.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.191 0.996 . . . . 0.0 112.639 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -87.48 13.4 10.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.769 1.228 . . . . 0.0 112.142 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -54.98 35.69 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 119.952 -1.718 . . . . 0.0 113.709 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.77 14.44 1.26 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.862 2.375 . . . . 0.0 112.806 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 72.41 -7.08 1.44 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.436 2.294 . . . . 0.0 114.227 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 55.03 73.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.969 2.107 . . . . 0.0 112.609 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 118.4 -2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 116.568 -1.682 . . . . 0.0 112.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -70.91 -55.7 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.109 1.873 . . . . 0.0 111.293 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 147.47 15.17 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.789 1.636 . . . . 0.0 108.334 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 157.04 -62.85 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 129.913 3.285 . . . . 0.0 110.239 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.58 115.39 4.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.396 2.064 . . . . 0.0 110.976 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t 67.96 148.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.51 1.924 . . . . 0.0 111.065 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -147.05 154.08 46.14 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 121.205 -0.935 . . . . 0.0 110.786 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.79 165.36 26.78 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.168 2.579 . . . . 0.0 111.683 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.53 89.42 1.07 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.835 0.731 . . . . 0.0 112.281 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.88 151.08 30.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.632 1.573 . . . . 0.0 108.936 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -150.22 86.38 1.42 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.149 1.379 . . . . 0.0 110.016 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.58 15.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.705 1.602 . . . . 0.0 107.976 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t 52.74 141.14 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 128.332 2.653 . . . . 0.0 115.792 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.32 -21.47 54.28 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 O-C-N 118.348 -1.448 . . . . 0.0 111.857 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.54 -21.95 61.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -97.1 -36.7 10.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.625 1.17 . . . . 0.0 110.38 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp -73.31 -37.83 66.04 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.61 -23.52 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.669 1.187 . . . . 0.0 112.641 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.49 -5.68 18.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.771 1.228 . . . . 0.0 113.688 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -52.46 68.93 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.094 2.158 . . . . 0.0 112.285 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -77.09 102.34 1.61 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.708 2.272 . . . . 0.0 110.407 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.56 85.86 0.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.951 1.7 . . . . 0.0 109.607 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.72 160.85 34.29 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.335 1.064 . . . . 0.0 111.313 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.609 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 117.139 -1.41 . . . . 0.0 111.688 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -75.6 -52.33 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.52 1.48 . . . . 0.0 111.929 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 80.75 4.78 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.843 1.257 . . . . 0.0 109.675 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.76 150.38 42.13 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.931 0.892 . . . . 0.0 112.343 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.57 91.59 1.13 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.801 3.001 . . . . 0.0 111.666 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -156.3 171.14 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.671 1.588 . . . . 0.0 108.92 175.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -36.4 96.93 0.12 Allowed Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 127.087 2.155 . . . . 0.0 112.31 173.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.53 -9.28 13.59 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.648 2.232 . . . . 0.0 112.499 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.07 -112.06 2.72 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.462 1.506 . . . . 0.0 110.386 172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t0 58.75 92.25 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.474 1.51 . . . . 0.0 112.654 -178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 58.54 94.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.496 1.119 . . . . 0.0 112.799 -170.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.31 175.48 5.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 122.144 0.973 . . . . 0.0 111.931 176.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -75.07 158.6 84.11 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.654 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.86 -9.67 25.59 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.392 2.062 . . . . 0.0 113.348 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.98 -11.47 17.4 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.323 1.449 . . . . 0.0 112.678 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.08 -31.07 8.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.053 1.341 . . . . 0.0 111.512 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.433 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -94.24 -27.84 15.94 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -57.87 10.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.48 1.512 . . . . 0.0 109.426 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.2 p -69.71 -17.16 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.243 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 63.7 145.81 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 130.324 3.449 . . . . 0.0 110.494 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.82 59.45 3.48 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 121.975 1.783 . . . . 0.0 110.799 167.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -21.57 63.01 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.914 1.285 . . . . 0.0 111.118 170.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -82.24 157.64 23.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.452 1.501 . . . . 0.0 112.249 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 O-C-N 119.664 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 116.849 -1.548 . . . . 0.0 113.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.55 -5.99 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.933 2.422 . . . . 0.0 113.816 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.0 150.64 42.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.905 1.282 . . . . 0.0 109.745 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 69.57 82.36 0.18 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.707 1.603 . . . . 0.0 112.103 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.64 107.79 2.26 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 123.219 2.613 . . . . 0.0 111.512 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.45 122.8 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.842 1.257 . . . . 0.0 109.672 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.9 153.5 43.74 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 123.606 0.762 . . . . 0.0 110.652 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.04 61.45 5.71 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.193 3.262 . . . . 0.0 110.523 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.25 -103.09 0.17 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.988 2.709 . . . . 0.0 108.314 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 58.06 162.67 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.526 1.53 . . . . 0.0 111.983 -163.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.8 t30 47.01 85.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.09 158.37 43.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.405 1.082 . . . . 0.0 108.787 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t 52.81 140.76 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 128.582 2.753 . . . . 0.0 115.668 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -65.64 -21.76 58.76 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 O-C-N 118.936 -1.139 . . . . 0.0 111.639 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -76.61 -12.84 60.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.047 0.939 . . . . 0.0 113.126 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.15 -37.97 7.49 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.594 0.758 . . . . 0.0 110.336 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.427 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -64.72 -31.49 72.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.64 -21.78 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.62 1.1 . . . . 0.0 113.006 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -111.04 22.87 14.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.046 1.739 . . . . 0.0 110.217 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -53.58 157.24 3.83 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.354 1.062 . . . . 0.0 112.18 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -75.71 63.24 6.56 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.795 2.33 . . . . 0.0 111.233 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -24.94 39.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.395 1.078 . . . . 0.0 112.548 169.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -95.87 168.48 10.62 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.386 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 119.384 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.69 105.47 2.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.404 2.736 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.458 1.503 . . . . 0.0 107.142 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.22 101.9 0.26 Allowed Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.185 1.394 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -76.6 5.14 4.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.188 1.926 . . . . 0.0 112.74 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m 46.08 -144.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 128.802 2.841 . . . . 0.0 109.894 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 t80 54.91 76.59 0.5 Allowed Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.517 1.127 . . . . 0.0 113.679 165.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.79 157.62 61.13 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.543 2.162 . . . . 0.0 112.012 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.0 65.7 1.28 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.356 0.979 . . . . 0.0 112.1 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.05 129.74 40.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.492 0.646 . . . . 0.0 110.46 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 156.35 -26.12 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.945 2.898 . . . . 0.0 111.999 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.0 -164.74 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.888 1.275 . . . . 0.0 112.331 -172.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 t -69.89 139.84 88.44 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.316 -0.865 . . . . 0.0 111.73 172.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 16' ' ' GLN . 36.3 Cg_endo -69.08 161.4 45.99 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.711 2.274 . . . . 0.0 110.805 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 60.47 -6.69 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.186 1.794 . . . . 0.0 114.217 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -98.8 -38.88 8.88 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.062 1.345 . . . . 0.0 111.492 176.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.36 -40.47 94.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.5 mt -65.69 -33.78 76.67 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 125.885 1.674 . . . . 0.0 112.547 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -78.66 -25.08 44.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.641 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 60.99 143.43 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 129.496 3.118 . . . . 0.0 111.614 -172.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.09 55.25 2.87 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.673 2.249 . . . . 0.0 111.24 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -67.77 -23.18 65.2 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.312 1.445 . . . . 0.0 111.658 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.35 166.3 31.42 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.513 1.525 . . . . 0.0 110.831 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.603 -1.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 119.711 -0.185 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 24' ' ' LEU . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.383 0.135 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.428 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 28' ' ' ILE . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 24' ' ' LEU . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 28' ' ' ILE . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 HD11 ' A' ' 24' ' ' LEU . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 28' ' ' ILE . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 24' ' ' LEU . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 24' ' ' LEU . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.667 -0.206 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -71.56 -57.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.529 2.153 . . . . 0.0 111.907 -174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.12 92.68 0.35 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.597 1.959 . . . . 0.0 110.234 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -124.87 76.99 66.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 O-C-N 121.625 -0.672 . . . . 0.0 109.363 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.89 152.4 41.32 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.901 2.401 . . . . 0.0 110.218 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t 64.36 152.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.97 1.708 . . . . 0.0 110.612 -172.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 t80 58.92 78.99 0.32 Allowed Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.911 0.884 . . . . 0.0 113.062 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.68 171.55 13.06 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.654 2.236 . . . . 0.0 112.503 -175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.08 65.27 0.57 Allowed Glycine 0 N--CA 1.467 0.738 0 C-N-CA 124.686 1.136 . . . . 0.0 111.837 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.83 157.14 33.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.676 1.59 . . . . 0.0 109.448 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 66.43 100.55 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.808 1.643 . . . . 0.0 112.463 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.08 177.69 4.24 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.98 0.895 . . . . 0.0 111.804 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -151.54 143.03 15.7 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 124.554 1.142 . . . . 0.0 110.514 -174.288 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.33 -34.53 54.87 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.914 2.409 . . . . 0.0 111.996 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -18.3 64.57 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.469 1.107 . . . . 0.0 112.576 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HB2' HG23 ' A' ' 13' ' ' THR . 1.5 tp-100 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 123.981 0.912 . . . . 0.0 110.943 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt -60.78 -43.97 97.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 33.8 mt -63.62 -23.02 67.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.678 1.191 . . . . 0.0 113.439 174.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 m -105.38 33.59 3.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.986 1.714 . . . . 0.0 110.81 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.07 160.49 6.2 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.522 -0.736 . . . . 0.0 112.867 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.4 97.32 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.248 2.632 . . . . 0.0 110.894 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -138.18 59.84 1.64 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.99 0.916 . . . . 0.0 111.787 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -72.4 138.96 47.54 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.651 1.215 . . . . 0.0 111.171 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 118.509 -2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 116.61 -1.662 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 40.1 Cg_endo -74.81 -34.74 3.83 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.454 2.103 . . . . 0.0 113.214 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.41 112.85 2.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.193 0.997 . . . . 0.0 109.833 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -112.36 152.94 44.91 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.314 1.046 . . . . 0.0 111.132 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.5 54.89 4.03 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.531 3.487 . . . . 0.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t 64.7 156.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 127.354 2.262 . . . . 0.0 110.92 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.04 84.25 58.38 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 121.274 -0.891 . . . . 0.0 110.489 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -71.7 -8.15 22.57 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.632 2.221 . . . . 0.0 113.418 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . 105.95 -42.13 1.99 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.264 1.888 . . . . 0.0 112.237 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 65.56 87.77 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.32 1.06 . . . . 0.0 111.928 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 48.67 54.7 10.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.005 1.322 . . . . 0.0 113.731 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.16 90.64 0.06 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 2.4 t -49.5 136.61 17.37 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 123.208 0.603 . . . . 0.0 112.161 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.12 -15.06 47.23 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.925 1.75 . . . . 0.0 111.903 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -86.31 -13.23 47.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 113.724 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -102.07 -35.35 8.97 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.792 1.237 . . . . 0.0 111.073 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 24' ' ' LEU . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm -70.15 -29.14 65.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -73.65 -24.55 60.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.57 1.148 . . . . 0.0 112.157 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -96.95 -7.77 32.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.03 1.332 . . . . 0.0 113.322 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -54.64 53.57 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.812 1.645 . . . . 0.0 112.521 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.69 78.65 3.02 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.687 2.258 . . . . 0.0 111.263 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 89.1 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.736 1.614 . . . . 0.0 110.424 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 -56.52 1.51 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.494 1.517 . . . . 0.0 111.7 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.264 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 117.09 -1.434 . . . . 0.0 112.705 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 67.7 Cg_endo -73.51 74.7 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.361 2.04 . . . . 0.0 108.119 170.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 150.78 2.33 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.09 151.54 0.9 Allowed Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.865 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -68.99 1.97 3.49 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 113.243 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t 58.69 12.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.775 2.43 . . . . 0.0 111.408 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -151.38 87.77 4.48 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 127.47 2.308 . . . . 0.0 109.109 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -69.17 -7.49 21.02 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.616 2.211 . . . . 0.0 113.635 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.32 115.17 1.69 Allowed Glycine 0 C--O 1.215 -1.046 0 C-N-CA 126.189 1.852 . . . . 0.0 110.438 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.12 175.77 0.13 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.395 1.478 . . . . 0.0 112.902 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -155.21 70.11 0.73 Allowed 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 122.342 1.068 . . . . 0.0 109.705 171.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.05 164.21 39.21 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.677 -0.639 . . . . 0.0 110.231 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.23 142.23 1.2 Allowed Pre-proline 0 C--O 1.242 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 110.0 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.86 -10.37 22.39 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.702 2.268 . . . . 0.0 112.267 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -9.56 27.65 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -104.91 -32.9 8.56 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.892 1.224 . . . . 0.0 110.717 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp -72.16 -38.26 69.19 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.36 -31.17 71.79 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.764 1.226 . . . . 0.0 112.533 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -91.43 -19.74 22.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.12 146.72 0.09 OUTLIER Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 129.825 3.25 . . . . 0.0 111.553 -170.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.5 54.6 2.43 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 122.619 2.212 . . . . 0.0 112.117 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -68.5 -17.01 64.08 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.838 -1.164 . . . . 0.0 112.62 172.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.51 123.05 40.37 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 125.759 1.624 . . . . 0.0 110.414 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 118.97 -2.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.74 120.16 6.28 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.645 2.897 . . . . 0.0 111.173 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -161.66 116.28 1.98 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.077 1.351 . . . . 0.0 108.588 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 112.73 11.67 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.131 0.572 . . . . 0.0 110.426 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.68 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.896 2.397 . . . . 0.0 114.029 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.53 166.23 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.824 2.45 . . . . 0.0 108.515 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.28 77.37 0.46 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.571 1.149 . . . . 0.0 113.013 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.46 -1.47 9.1 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.402 2.735 . . . . 0.0 113.915 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -54.17 4.03 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.994 1.759 . . . . 0.0 112.13 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.82 172.89 6.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.847 1.259 . . . . 0.0 110.99 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -59.29 -78.26 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.535 1.534 . . . . 0.0 111.399 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.03 89.35 2.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.37 1.868 . . . . 0.0 107.996 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -55.42 137.23 69.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.009 0.923 . . . . 0.0 111.229 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -64.29 -20.03 66.3 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.074 1.849 . . . . 0.0 111.686 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.79 -14.28 56.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.347 1.059 . . . . 0.0 113.295 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.96 -36.76 9.64 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.917 0.887 . . . . 0.0 110.875 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp -59.02 -38.58 79.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.76 -20.47 66.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.104 1.362 . . . . 0.0 113.121 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 m -110.97 34.56 3.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.897 1.679 . . . . 0.0 109.755 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 158.95 6.91 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 123.912 0.885 . . . . 0.0 112.318 174.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.25 92.18 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.127 2.551 . . . . 0.0 110.587 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -136.07 55.06 1.87 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.264 1.026 . . . . 0.0 112.218 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 57.42 71.83 0.55 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.56 1.648 . . . . 0.0 113.209 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.41 62.08 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.468 3.445 . . . . 0.0 111.091 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -168.62 1.95 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.749 1.219 . . . . 0.0 110.404 169.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 67.73 70.6 0.44 Allowed Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.309 1.444 . . . . 0.0 108.782 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.36 -168.23 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.465 2.11 . . . . 0.0 111.059 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -46.3 154.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.179 0.991 . . . . 0.0 111.393 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 62.32 163.11 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 113.266 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -69.27 127.89 15.67 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.415 1.41 . . . . 0.0 110.306 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.5 -39.81 24.79 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.618 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 63.19 177.78 0.15 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.928 1.691 . . . . 0.0 112.536 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.92 51.17 1.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.883 -1.76 . . . . 0.0 111.734 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.43 -169.92 0.08 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.517 1.527 . . . . 0.0 112.181 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -154.77 141.51 13.32 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 121.001 -1.062 . . . . 0.0 110.827 177.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.96 -18.91 63.53 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.393 2.062 . . . . 0.0 111.628 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -21.1 34.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.441 0.696 . . . . 0.0 112.801 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' THR . 5.1 tp60 -94.31 -39.8 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.218 1.007 . . . . 0.0 110.394 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.428 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -78.07 -26.62 48.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -42.94 57.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.3 1.04 . . . . 0.0 111.67 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.1 -1.18 56.7 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -52.9 50.06 Favored Pre-proline 0 N--CA 1.469 0.483 0 C-N-CA 126.033 1.733 . . . . 0.0 112.662 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -74.68 105.25 2.03 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.006 1.804 . . . . 0.0 110.446 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.61 86.79 0.38 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.736 1.215 . . . . 0.0 110.51 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -106.45 148.61 27.94 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.881 0.872 . . . . 0.0 111.945 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.85 0 O-C-N 119.54 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 117.017 -1.468 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.94 62.72 5.86 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.79 2.993 . . . . 0.0 110.675 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.48 174.79 4.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.121 1.768 . . . . 0.0 109.938 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.06 142.33 13.84 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -65.53 124.67 13.17 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.357 2.038 . . . . 0.0 109.679 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -52.4 151.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 123.772 0.829 . . . . 0.0 110.598 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -27.06 91.79 0.05 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.104 2.161 . . . . 0.0 113.746 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -79.06 -5.26 14.41 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.096 1.864 . . . . 0.0 112.713 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.79 -95.14 0.11 Allowed Glycine 0 C--N 1.343 0.924 0 C-N-CA 126.012 1.768 . . . . 0.0 111.657 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 39.9 79.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.95 2.1 . . . . 0.0 114.09 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.26 77.58 0.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.851 1.31 . . . . 0.0 111.206 -170.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 176.24 5.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.398 1.079 . . . . 0.0 111.215 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -52.89 103.72 0.39 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.455 2.302 . . . . 0.0 112.549 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.42 -43.24 3.07 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.132 2.555 . . . . 0.0 111.879 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.27 -17.18 64.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.364 1.466 . . . . 0.0 112.512 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -99.89 -27.94 13.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.32 1.848 . . . . 0.0 112.147 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp -58.83 -46.26 88.07 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 27.4 mt -64.61 -21.8 66.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.358 1.463 . . . . 0.0 113.18 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -106.15 20.58 18.73 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.905 1.682 . . . . 0.0 110.794 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -48.78 -55.91 17.68 Favored Pre-proline 0 N--CA 1.473 0.721 0 O-C-N 121.072 -1.018 . . . . 0.0 112.774 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -75.49 94.95 0.98 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.42 2.08 . . . . 0.0 110.492 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.32 -39.71 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.888 1.275 . . . . 0.0 111.669 175.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 135.99 47.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.372 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 119.638 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.537 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 56.0 Cg_endo -71.3 176.46 7.88 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 121.702 1.601 . . . . 0.0 110.774 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.17 138.74 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.804 2.042 . . . . 0.0 112.249 -174.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.17 152.58 96.39 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 121.342 -0.849 . . . . 0.0 111.76 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.73 56.19 3.43 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.231 3.287 . . . . 0.0 113.405 -176.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t 64.14 152.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 109.832 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 54.19 87.08 0.15 Allowed Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.8 68.17 3.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.841 2.361 . . . . 0.0 111.961 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.34 103.76 0.47 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.27 1.89 . . . . 0.0 111.783 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.7 166.45 13.14 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.427 0.691 . . . . 0.0 111.117 174.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -133.21 81.68 1.95 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.223 1.409 . . . . 0.0 110.513 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.4 171.7 7.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.443 0.697 . . . . 0.0 111.015 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 t -53.22 137.44 48.77 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 123.967 0.907 . . . . 0.0 112.114 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -64.43 -18.68 63.87 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -14.02 56.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 0.0 113.038 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.03 -35.83 9.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.121 0.968 . . . . 0.0 110.43 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' THR . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.1 -19.66 50.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.084 1.354 . . . . 0.0 112.289 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.7 p -90.43 -21.45 21.91 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.557 1.143 . . . . 0.0 112.896 175.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.23 92.47 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 114.006 173.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -75.7 -0.64 10.42 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.157 2.571 . . . . 0.0 114.538 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 161.01 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.424 3.09 . . . . 0.0 113.758 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.58 -46.8 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 124.836 1.254 . . . . 0.0 111.145 -172.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.339 -2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -70.03 109.68 2.42 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.839 2.359 . . . . 0.0 109.812 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 171.57 2.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.866 0.841 . . . . 0.0 111.535 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 156.13 32.11 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.201 0.6 . . . . 0.0 112.367 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.53 -173.63 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.255 2.636 . . . . 0.0 111.653 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -41.71 123.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.395 1.478 . . . . 0.0 111.939 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.05 86.9 4.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -173.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.74 145.86 47.16 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.593 1.529 . . . . 0.0 110.291 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.61 89.79 0.11 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t70 68.47 168.66 0.28 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.621 1.968 . . . . 0.0 112.983 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -138.11 80.47 1.8 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.788 1.235 . . . . 0.0 109.662 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.64 -174.37 1.86 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.525 1.93 . . . . 0.0 108.431 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 84.96 155.51 0.11 Allowed Pre-proline 0 N--CA 1.47 0.546 0 C-N-CA 127.556 2.342 . . . . 0.0 112.327 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.32 -37.42 10.26 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.136 2.557 . . . . 0.0 112.107 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -24.2 67.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.308 1.043 . . . . 0.0 113.063 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -93.39 -35.7 12.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.219 1.008 . . . . 0.0 111.168 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm -64.69 -45.57 86.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -47.62 80.08 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 123.875 0.87 . . . . 0.0 111.17 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 m -93.23 30.02 1.77 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.978 0.911 . . . . 0.0 110.83 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -54.49 37.18 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.486 1.115 . . . . 0.0 112.607 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -76.19 82.51 2.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.377 2.052 . . . . 0.0 111.201 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttp85 -163.64 87.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.161 1.384 . . . . 0.0 111.25 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.3 t80 53.73 77.95 0.17 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.785 1.755 . . . . 0.0 112.88 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 118.596 -2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 117.391 -1.29 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 43.9 Cg_endo -70.72 153.72 64.35 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.429 1.419 . . . . 0.0 110.656 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 50.11 66.81 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.087 1.355 . . . . 0.0 112.028 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -56.35 36.63 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.97 0.908 . . . . 0.0 112.75 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -76.77 107.21 2.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.716 2.278 . . . . 0.0 111.053 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -59.02 143.12 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.14 0.976 . . . . 0.0 109.327 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.05 89.62 8.44 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.079 1.351 . . . . 0.0 110.051 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.45 -6.26 18.07 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.886 2.391 . . . . 0.0 113.9 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.12 100.72 2.52 Favored Glycine 0 C--N 1.346 1.125 0 C-N-CA 125.533 1.539 . . . . 0.0 111.137 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -133.1 83.05 2.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.844 0.857 . . . . 0.0 109.803 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -157.75 97.64 1.59 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.343 1.057 . . . . 0.0 110.263 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.65 179.89 3.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.351 1.06 . . . . 0.0 110.835 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -145.9 145.07 23.72 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.011 0.924 . . . . 0.0 110.533 -176.48 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -71.15 153.7 62.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.066 2.511 . . . . 0.0 110.858 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 55.73 4.7 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.933 1.693 . . . . 0.0 113.937 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HB3' HG23 ' A' ' 13' ' ' THR . 14.2 tp60 -103.97 -36.29 7.82 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 120.718 -1.238 . . . . 0.0 110.479 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.3 79.91 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.58 -28.24 64.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.687 0.795 . . . . 0.0 113.075 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 m -105.12 20.95 17.96 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.48 1.112 . . . . 0.0 111.446 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -58.89 -55.49 45.78 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 124.293 1.037 . . . . 0.0 112.781 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.25 84.31 1.86 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.506 2.138 . . . . 0.0 110.847 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 84.48 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.105 1.362 . . . . 0.0 111.142 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.93 119.98 12.8 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 110.884 -177.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 116.932 -1.509 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.6 Cg_endo -69.22 158.85 56.1 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.21 1.273 . . . . 0.0 110.552 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.55 142.88 39.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.997 1.319 . . . . 0.0 109.312 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.85 169.18 0.07 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.721 1.608 . . . . 0.0 113.783 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -75.17 150.61 37.69 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 121.808 1.672 . . . . 0.0 111.606 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.1 t -85.72 18.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.321 1.049 . . . . 0.0 110.904 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.9 154.31 52.96 Favored Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.701 1.6 . . . . 0.0 110.818 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -71.79 -3.65 13.56 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.89 2.393 . . . . 0.0 113.22 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.58 -60.96 4.82 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.257 1.408 . . . . 0.0 110.852 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.78 121.99 5.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.987 1.715 . . . . 0.0 110.019 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -172.06 73.09 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.215 1.006 . . . . 0.0 111.36 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.76 107.53 0.06 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.407 1.483 . . . . 0.0 112.024 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.67 160.37 50.89 Favored Pre-proline 0 C--O 1.243 0.722 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -174.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -68.5 -11.03 30.78 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.791 2.327 . . . . 0.0 113.087 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 -14.15 13.36 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.644 1.177 . . . . 0.0 112.856 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -97.56 -23.95 15.77 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.7 1.6 . . . . 0.0 111.83 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 28' ' ' ILE . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' LEU . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm -62.96 -12.89 28.62 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 28' ' ' ILE . 20.1 mt -76.36 -26.93 56.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.993 1.317 . . . . 0.0 111.698 172.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.0 p -146.12 69.94 1.22 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.541 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.99 -60.21 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 126.858 2.063 . . . . 0.0 112.442 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.9 118.03 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.856 3.038 . . . . 0.0 109.24 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 165.22 -30.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.968 2.907 . . . . 0.0 112.821 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 50.72 78.86 0.1 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.335 1.454 . . . . 0.0 112.179 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 118.731 -2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 116.968 -1.492 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 32.5 Cg_endo -69.54 168.85 20.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.605 1.537 . . . . 0.0 111.226 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.82 133.02 34.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.807 0.843 . . . . 0.0 110.235 175.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -55.69 16.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 124.11 0.964 . . . . 0.0 112.413 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -72.62 163.21 39.17 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.427 1.418 . . . . 0.0 111.059 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 m -64.84 176.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 122.123 0.963 . . . . 0.0 111.39 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -91.22 154.18 44.73 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.369 1.067 . . . . 0.0 111.811 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -73.8 -14.48 24.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.995 2.463 . . . . 0.0 113.069 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.14 94.5 1.48 Allowed Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.109 1.337 . . . . 0.0 110.597 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.99 146.27 31.29 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.082 0.953 . . . . 0.0 109.344 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 65.98 119.19 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.656 1.182 . . . . 0.0 110.906 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.98 -170.4 0.05 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.261 1.029 . . . . 0.0 111.009 170.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -140.07 144.02 36.31 Favored Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 120.697 -1.252 . . . . 0.0 109.932 -174.473 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -67.77 152.71 77.27 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.986 1.791 . . . . 0.0 110.269 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 61.41 -8.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.69 1.596 . . . . 0.0 114.835 -172.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HB3' HG23 ' A' ' 13' ' ' THR . 48.5 tp60 -96.7 -31.72 12.54 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.398 -1.439 . . . . 0.0 111.956 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 28' ' ' ILE . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 HD11 ' A' ' 24' ' ' LEU . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp -59.67 -35.07 73.72 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.35 -34.5 77.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.882 0.873 . . . . 0.0 112.196 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -148.02 72.18 1.21 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.218 1.407 . . . . 0.0 112.13 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 155.29 9.89 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.644 1.177 . . . . 0.0 112.684 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.08 15.52 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.694 2.929 . . . . 0.0 113.307 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -50.4 -26.65 5.22 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.987 1.715 . . . . 0.0 112.75 172.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.51 -47.5 4.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.665 1.986 . . . . 0.0 113.239 174.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 119.53 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 116.685 -1.626 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -70.1 -79.05 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.222 1.948 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -169.14 38.28 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.024 1.33 . . . . 0.0 112.202 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.07 65.53 5.33 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 125.778 1.631 . . . . 0.0 112.124 -169.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.92 54.62 4.14 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.176 3.251 . . . . 0.0 111.485 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 m 47.36 -153.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 128.226 2.61 . . . . 0.0 111.078 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -113.3 86.08 9.33 Favored Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 121.299 -0.876 . . . . 0.0 109.908 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -73.67 172.31 16.05 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.621 2.214 . . . . 0.0 111.148 174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -31.39 4.74 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.827 1.203 . . . . 0.0 112.655 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.74 151.57 10.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.04 0.924 . . . . 0.0 111.66 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.53 103.16 1.57 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.903 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HG2' ' A' ' 17' ' ' MET . . . -128.59 -175.15 3.44 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.253 1.021 . . . . 0.0 110.811 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 160.33 75.15 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 122.941 0.496 . . . . 0.0 110.517 -177.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.28 -10.37 28.41 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.771 2.314 . . . . 0.0 112.971 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -115.44 -10.15 12.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.818 1.247 . . . . 0.0 112.884 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -100.6 -25.31 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.914 1.286 . . . . 0.0 112.111 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.774 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 28' ' ' ILE . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE2' HD11 ' A' ' 31' ' ' LEU . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 24' ' ' LEU . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -25.98 48.05 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.7 mt -72.85 -25.68 61.2 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.448 -1.408 . . . . 0.0 112.875 172.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.46 63.28 1.32 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.384 1.074 . . . . 0.0 112.484 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -167.59 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.288 1.835 . . . . 0.0 112.854 175.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' H ' ' A' ' 33' ' ' ARG . 39.6 Cg_endo -75.13 122.13 6.96 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.17 2.58 . . . . 0.0 109.649 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -37.79 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.927 2.091 . . . . 0.0 111.787 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -150.79 98.31 2.59 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 126.282 1.833 . . . . 0.0 109.445 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.568 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.81 159.43 53.38 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.261 1.974 . . . . 0.0 111.157 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.83 135.34 51.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 110.893 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -96.2 161.84 25.75 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -74.82 112.64 3.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.831 3.021 . . . . 0.0 111.628 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.53 144.05 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.101 1.36 . . . . 0.0 108.297 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.92 157.74 76.44 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 110.209 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -74.37 -11.63 22.76 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.595 2.197 . . . . 0.0 113.456 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.88 48.7 76.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.751 1.643 . . . . 0.0 113.569 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.63 87.53 0.11 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.408 2.283 . . . . 0.0 112.116 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -147.96 95.05 2.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.565 -0.709 . . . . 0.0 111.575 -174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.57 163.46 37.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.194 1.398 . . . . 0.0 110.452 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.15 160.73 28.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.472 0.709 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.49 -40.53 2.92 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 123.556 2.838 . . . . 0.0 112.711 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -62.89 -24.76 67.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.724 1.209 . . . . 0.0 112.429 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -89.43 -23.87 22.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.798 1.239 . . . . 0.0 112.023 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -24.69 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -64.4 -55.21 22.51 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.66 1.184 . . . . 0.0 109.795 175.018 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.4 m -93.12 6.11 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.413 0.685 . . . . 0.0 112.177 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -50.22 67.69 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.325 1.45 . . . . 0.0 113.932 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.26 8.5 3.83 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.925 2.417 . . . . 0.0 113.663 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.34 74.41 0.44 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 126.968 2.107 . . . . 0.0 112.013 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.69 138.97 27.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.757 0.789 . . . . 0.0 111.189 -175.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 119.792 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 23.9 Cg_endo -69.17 -31.8 22.37 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.689 1.592 . . . . 0.0 113.112 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.97 115.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 128.013 2.525 . . . . 0.0 112.073 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 67.77 3.9 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.914 1.286 . . . . 0.0 112.372 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.53 80.65 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 123.471 2.781 . . . . 0.0 111.753 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.82 154.02 35.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 126.621 1.968 . . . . 0.0 109.625 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -123.41 151.78 63.47 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 110.205 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -72.62 132.62 19.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.884 2.389 . . . . 0.0 110.439 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.5 53.38 0.67 Allowed Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.307 0.956 . . . . 0.0 112.846 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 58.05 85.55 0.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.853 2.061 . . . . 0.0 112.904 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -164.02 86.78 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.14 0.976 . . . . 0.0 110.12 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 164.91 26.82 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.389 0.676 . . . . 0.0 110.743 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -146.6 157.6 47.79 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 123.973 0.909 . . . . 0.0 110.135 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.51 -5.44 15.21 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.831 2.354 . . . . 0.0 113.367 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.73 -18.62 14.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.595 1.158 . . . . 0.0 112.708 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -98.4 -34.58 10.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 110.831 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt -105.38 -28.83 10.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -53.49 -58.97 5.25 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.149 1.779 . . . . 0.0 109.186 179.239 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -71.34 -25.45 62.41 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.764 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 60.37 143.29 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 129.712 3.205 . . . . 0.0 111.023 -170.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 60.06 3.96 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.326 2.017 . . . . 0.0 110.628 167.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -71.64 -13.25 61.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.912 1.285 . . . . 0.0 111.756 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -82.49 145.57 29.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.216 1.406 . . . . 0.0 111.894 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.529 -1.224 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.82 -36.72 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.194 2.596 . . . . 0.0 114.162 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.63 96.66 5.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.138 1.375 . . . . 0.0 108.296 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.55 154.74 63.15 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.769 0.827 . . . . 0.0 112.789 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.76 119.05 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.102 2.535 . . . . 0.0 111.682 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -19.43 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.437 0.695 . . . . 0.0 112.588 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -163.86 83.4 1.34 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 111.517 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.61 103.26 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.45 2.767 . . . . 0.0 111.529 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.35 75.86 0.2 Allowed Glycine 0 C--N 1.343 0.937 0 C-N-CA 123.916 0.769 . . . . 0.0 112.365 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 48.78 80.25 0.06 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.399 2.28 . . . . 0.0 113.472 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.26 -90.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.138 0.975 . . . . 0.0 111.847 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.7 152.18 22.77 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.868 1.267 . . . . 0.0 110.452 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.01 157.91 87.91 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 0.0 111.973 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -69.47 -41.35 4.73 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 112.292 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -28.9 69.6 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 0.0 111.848 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -24.91 28.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.179 0.992 . . . . 0.0 112.054 173.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.7 -34.62 69.78 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 36.3 mt -63.6 -22.26 66.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 172.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.3 m -121.98 21.35 10.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.003 1.721 . . . . 0.0 111.016 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -66.42 -56.99 13.58 Favored Pre-proline 0 N--CA 1.473 0.695 0 O-C-N 120.702 -1.248 . . . . 0.0 111.777 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -73.49 150.75 46.57 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 121.49 1.46 . . . . 0.0 110.207 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.03 67.53 0.99 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.866 1.666 . . . . 0.0 113.301 -175.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -154.97 136.43 14.18 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.56 1.144 . . . . 0.0 111.134 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.553 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.13 153.33 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.785 2.323 . . . . 0.0 112.239 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.41 70.53 0.89 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.155 1.382 . . . . 0.0 113.145 -174.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.34 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.756 2.022 . . . . 0.0 110.092 -174.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 63.83 8.21 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.619 2.879 . . . . 0.0 111.079 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -10.13 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.77 2.028 . . . . 0.0 112.43 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 54.88 83.36 0.23 Allowed Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 126.111 1.765 . . . . 0.0 111.528 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.85 145.27 61.91 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.483 1.455 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.38 -69.7 0.36 Allowed Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.879 1.228 . . . . 0.0 111.631 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -134.89 126.61 29.06 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.656 1.583 . . . . 0.0 109.952 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 53.18 69.83 0.66 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.068 1.747 . . . . 0.0 114.409 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.31 155.35 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.374 1.069 . . . . 0.0 108.454 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t 52.6 140.79 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.641 2.776 . . . . 0.0 115.057 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -66.1 -21.73 55.52 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 O-C-N 119.057 -1.075 . . . . 0.0 111.536 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -16.88 61.06 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -102.34 -36.99 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.675 1.19 . . . . 0.0 110.533 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.75 78.05 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.31 -27.24 67.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.191 0.996 . . . . 0.0 112.639 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -87.48 13.4 10.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.769 1.228 . . . . 0.0 112.142 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -54.98 35.69 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 119.952 -1.718 . . . . 0.0 113.709 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.77 14.44 1.26 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.862 2.375 . . . . 0.0 112.806 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 72.41 -7.08 1.44 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.436 2.294 . . . . 0.0 114.227 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 55.03 73.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.969 2.107 . . . . 0.0 112.609 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 118.4 -2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 116.568 -1.682 . . . . 0.0 112.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 28.1 Cg_endo -70.91 -55.7 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.109 1.873 . . . . 0.0 111.293 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 147.47 15.17 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.789 1.636 . . . . 0.0 108.334 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 157.04 -62.85 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 129.913 3.285 . . . . 0.0 110.239 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.58 115.39 4.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.396 2.064 . . . . 0.0 110.976 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t 67.96 148.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.51 1.924 . . . . 0.0 111.065 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -147.05 154.08 46.14 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 121.205 -0.935 . . . . 0.0 110.786 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.79 165.36 26.78 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.168 2.579 . . . . 0.0 111.683 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.53 89.42 1.07 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.835 0.731 . . . . 0.0 112.281 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.88 151.08 30.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.632 1.573 . . . . 0.0 108.936 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -150.22 86.38 1.42 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.149 1.379 . . . . 0.0 110.016 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.58 15.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.705 1.602 . . . . 0.0 107.976 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t 52.74 141.14 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 128.332 2.653 . . . . 0.0 115.792 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.32 -21.47 54.28 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 O-C-N 118.348 -1.448 . . . . 0.0 111.857 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.54 -21.95 61.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -97.1 -36.7 10.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.625 1.17 . . . . 0.0 110.38 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.652 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp -73.31 -37.83 66.04 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 29.8 mt -70.61 -23.52 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.669 1.187 . . . . 0.0 112.641 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.49 -5.68 18.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.771 1.228 . . . . 0.0 113.688 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -52.46 68.93 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.094 2.158 . . . . 0.0 112.285 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -77.09 102.34 1.61 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.708 2.272 . . . . 0.0 110.407 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.56 85.86 0.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.951 1.7 . . . . 0.0 109.607 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.72 160.85 34.29 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.335 1.064 . . . . 0.0 111.313 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.609 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 117.139 -1.41 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 33.9 Cg_endo -75.6 -52.33 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.52 1.48 . . . . 0.0 111.929 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 80.75 4.78 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.843 1.257 . . . . 0.0 109.675 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.76 150.38 42.13 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.931 0.892 . . . . 0.0 112.343 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.57 91.59 1.13 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.801 3.001 . . . . 0.0 111.666 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -156.3 171.14 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.671 1.588 . . . . 0.0 108.92 175.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -36.4 96.93 0.12 Allowed Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 127.087 2.155 . . . . 0.0 112.31 173.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.53 -9.28 13.59 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.648 2.232 . . . . 0.0 112.499 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.07 -112.06 2.72 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.462 1.506 . . . . 0.0 110.386 172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t0 58.75 92.25 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.474 1.51 . . . . 0.0 112.654 -178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 58.54 94.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.496 1.119 . . . . 0.0 112.799 -170.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.789 ' HB3' ' HG2' ' A' ' 17' ' ' MET . . . -109.31 175.48 5.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 122.144 0.973 . . . . 0.0 111.931 176.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -75.07 158.6 84.11 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.654 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.86 -9.67 25.59 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.392 2.062 . . . . 0.0 113.348 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.98 -11.47 17.4 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.323 1.449 . . . . 0.0 112.678 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.08 -31.07 8.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.053 1.341 . . . . 0.0 111.512 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.789 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 24' ' ' LEU . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -94.24 -27.84 15.94 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -56.03 -57.87 10.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.48 1.512 . . . . 0.0 109.426 178.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.2 p -69.71 -17.16 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.243 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 63.7 145.81 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 130.324 3.449 . . . . 0.0 110.494 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.82 59.45 3.48 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 121.975 1.783 . . . . 0.0 110.799 167.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -21.57 63.01 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.914 1.285 . . . . 0.0 111.118 170.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -82.24 157.64 23.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.452 1.501 . . . . 0.0 112.249 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 O-C-N 119.664 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 116.849 -1.548 . . . . 0.0 113.742 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 55.8 Cg_endo -77.55 -5.99 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.933 2.422 . . . . 0.0 113.816 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.0 150.64 42.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.905 1.282 . . . . 0.0 109.745 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 69.57 82.36 0.18 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.707 1.603 . . . . 0.0 112.103 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.64 107.79 2.26 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 123.219 2.613 . . . . 0.0 111.512 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.45 122.8 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.842 1.257 . . . . 0.0 109.672 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.9 153.5 43.74 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 123.606 0.762 . . . . 0.0 110.652 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.04 61.45 5.71 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.193 3.262 . . . . 0.0 110.523 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.25 -103.09 0.17 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.988 2.709 . . . . 0.0 108.314 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 58.06 162.67 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.526 1.53 . . . . 0.0 111.983 -163.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.8 t30 47.01 85.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.09 158.37 43.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.405 1.082 . . . . 0.0 108.787 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t 52.81 140.76 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 128.582 2.753 . . . . 0.0 115.668 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -65.64 -21.76 58.76 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 O-C-N 118.936 -1.139 . . . . 0.0 111.639 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -76.61 -12.84 60.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.047 0.939 . . . . 0.0 113.126 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.15 -37.97 7.49 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.594 0.758 . . . . 0.0 110.336 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -64.72 -31.49 72.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.64 -21.78 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.62 1.1 . . . . 0.0 113.006 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -111.04 22.87 14.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.046 1.739 . . . . 0.0 110.217 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -53.58 157.24 3.83 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.354 1.062 . . . . 0.0 112.18 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -75.71 63.24 6.56 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.795 2.33 . . . . 0.0 111.233 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -24.94 39.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.395 1.078 . . . . 0.0 112.548 169.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -95.87 168.48 10.62 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.386 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 119.384 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.69 105.47 2.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.404 2.736 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.458 1.503 . . . . 0.0 107.142 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.22 101.9 0.26 Allowed Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.185 1.394 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -76.6 5.14 4.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.188 1.926 . . . . 0.0 112.74 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m 46.08 -144.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 128.802 2.841 . . . . 0.0 109.894 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 t80 54.91 76.59 0.5 Allowed Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.517 1.127 . . . . 0.0 113.679 165.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.79 157.62 61.13 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.543 2.162 . . . . 0.0 112.012 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.0 65.7 1.28 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.356 0.979 . . . . 0.0 112.1 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.05 129.74 40.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.492 0.646 . . . . 0.0 110.46 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 156.35 -26.12 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.945 2.898 . . . . 0.0 111.999 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.0 -164.74 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.888 1.275 . . . . 0.0 112.331 -172.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 16' ' ' GLN . 4.1 t -69.89 139.84 88.44 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.316 -0.865 . . . . 0.0 111.73 172.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -69.08 161.4 45.99 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.711 2.274 . . . . 0.0 110.805 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 60.47 -6.69 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.186 1.794 . . . . 0.0 114.217 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.556 ' HB3' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -98.8 -38.88 8.88 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.062 1.345 . . . . 0.0 111.492 176.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 31' ' ' LEU . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.36 -40.47 94.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 27' ' ' TYR . 31.5 mt -65.69 -33.78 76.67 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 125.885 1.674 . . . . 0.0 112.547 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -78.66 -25.08 44.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.641 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 60.99 143.43 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 129.496 3.118 . . . . 0.0 111.614 -172.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.09 55.25 2.87 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.673 2.249 . . . . 0.0 111.24 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -67.77 -23.18 65.2 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.312 1.445 . . . . 0.0 111.658 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.35 166.3 31.42 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.513 1.525 . . . . 0.0 110.831 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.603 -1.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 119.711 -0.185 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 24' ' ' LEU . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.383 0.135 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 119.624 -0.227 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 . . . . . 0 N--CA 1.467 0.405 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.428 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 28' ' ' ILE . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD11 HD11 ' A' ' 24' ' ' LEU . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 28' ' ' ILE . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 HD11 ' A' ' 24' ' ' LEU . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 28' ' ' ILE . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 24' ' ' LEU . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.459 -0.305 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt . . . . . 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.38 -0.229 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 111.512 0.19 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 24' ' ' LEU . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.667 -0.206 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.863 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -71.56 -57.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.529 2.153 . . . . 0.0 111.907 -174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.12 92.68 0.35 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.597 1.959 . . . . 0.0 110.234 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -124.87 76.99 66.05 Favored Pre-proline 0 CA--C 1.54 0.567 0 O-C-N 121.625 -0.672 . . . . 0.0 109.363 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.89 152.4 41.32 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.901 2.401 . . . . 0.0 110.218 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t 64.36 152.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.97 1.708 . . . . 0.0 110.612 -172.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 t80 58.92 78.99 0.32 Allowed Pre-proline 0 N--CA 1.477 0.878 0 C-N-CA 123.911 0.884 . . . . 0.0 113.062 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.68 171.55 13.06 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.654 2.236 . . . . 0.0 112.503 -175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.08 65.27 0.57 Allowed Glycine 0 N--CA 1.467 0.738 0 C-N-CA 124.686 1.136 . . . . 0.0 111.837 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -122.83 157.14 33.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.676 1.59 . . . . 0.0 109.448 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 66.43 100.55 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.808 1.643 . . . . 0.0 112.463 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.08 177.69 4.24 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.98 0.895 . . . . 0.0 111.804 171.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -151.54 143.03 15.7 Favored Pre-proline 0 N--CA 1.469 0.504 0 C-N-CA 124.554 1.142 . . . . 0.0 110.514 -174.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.33 -34.53 54.87 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.914 2.409 . . . . 0.0 111.996 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -18.3 64.57 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.469 1.107 . . . . 0.0 112.576 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HB2' HG23 ' A' ' 13' ' ' THR . 1.5 tp-100 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.339 0.128 0 C-N-CA 123.981 0.912 . . . . 0.0 110.943 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.84 76.84 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.291 1.037 . . . . 0.0 110.557 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -27.76 69.09 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.789 0.328 . . . . 0.0 111.815 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -45.09 25.36 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 124.15 0.98 . . . . 0.0 112.508 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -50.89 -50.5 57.1 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.68 1.592 . . . . 0.0 111.066 175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -67.61 -42.57 82.18 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.05 -41.7 98.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.55 96.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.558 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.95 -46.11 74.97 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.72 1.145 . . . . 0.0 111.401 174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -54.68 43.48 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.654 0.661 . . . . 0.0 111.283 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.31 93.92 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.709 0.404 . . . . 0.0 112.039 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.53 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 36.2 t80 -60.07 -50.63 72.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.958 1.703 . . . . 0.0 111.51 177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.6 mt -54.19 -49.43 62.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 122.958 0.503 . . . . 0.0 110.131 172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.79 -45.59 85.84 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttt -60.78 -43.97 97.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.115 1.366 . . . . 0.0 112.123 174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 33.8 mt -63.62 -23.02 67.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.678 1.191 . . . . 0.0 113.439 174.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.1 m -105.38 33.59 3.63 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.986 1.714 . . . . 0.0 110.81 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -57.07 160.49 6.2 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 121.522 -0.736 . . . . 0.0 112.867 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -70.4 97.32 0.69 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.248 2.632 . . . . 0.0 110.894 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -138.18 59.84 1.64 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.99 0.916 . . . . 0.0 111.787 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -72.4 138.96 47.54 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 122.651 1.215 . . . . 0.0 111.171 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 118.509 -2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 116.61 -1.662 . . . . 0.0 111.499 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 40.1 Cg_endo -74.81 -34.74 3.83 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.454 2.103 . . . . 0.0 113.214 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.41 112.85 2.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.193 0.997 . . . . 0.0 109.833 174.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -112.36 152.94 44.91 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.314 1.046 . . . . 0.0 111.132 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -75.5 54.89 4.03 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.531 3.487 . . . . 0.0 112.365 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t 64.7 156.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 127.354 2.262 . . . . 0.0 110.92 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.04 84.25 58.38 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 121.274 -0.891 . . . . 0.0 110.489 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -71.7 -8.15 22.57 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.632 2.221 . . . . 0.0 113.418 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 13' ' ' THR . . . 105.95 -42.13 1.99 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.264 1.888 . . . . 0.0 112.237 177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 65.56 87.77 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.32 1.06 . . . . 0.0 111.928 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 48.67 54.7 10.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.005 1.322 . . . . 0.0 113.731 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.16 90.64 0.06 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -173.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 9' ' ' GLY . 2.4 t -49.5 136.61 17.37 Favored Pre-proline 0 N--CA 1.477 0.901 0 C-N-CA 123.208 0.603 . . . . 0.0 112.161 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.12 -15.06 47.23 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.925 1.75 . . . . 0.0 111.903 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -86.31 -13.23 47.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.503 1.121 . . . . 0.0 113.724 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -102.07 -35.35 8.97 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.792 1.237 . . . . 0.0 111.073 175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -42.42 80.07 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.82 0.848 . . . . 0.0 111.142 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.1 67.53 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.45 -46.31 16.14 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.055 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.71 -49.22 48.64 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.174 1.39 . . . . 0.0 111.034 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -66.67 -47.71 71.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.543 0.737 . . . . 0.0 112.252 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -62.84 -37.91 88.7 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.087 -1.008 . . . . 0.0 112.066 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.59 97.85 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.859 1.264 . . . . 0.0 110.867 172.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 28' ' ' ILE . 5.7 tp -55.75 -48.1 75.82 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.754 1.161 . . . . 0.0 110.408 173.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -52.7 64.28 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.395 0.543 . . . . 0.0 111.371 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -63.54 -41.76 98.45 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 123.395 0.678 . . . . 0.0 111.954 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.03 -50.61 73.06 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.463 1.905 . . . . 0.0 111.39 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.448 HD11 HD11 ' A' ' 24' ' ' LEU . 82.9 mt -55.67 -49.65 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.377 0.535 . . . . 0.0 110.042 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -57.47 -40.87 79.46 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.179 0.445 . . . . 0.0 112.047 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttm -70.15 -29.14 65.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.378 1.471 . . . . 0.0 113.413 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.1 mt -73.65 -24.55 60.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.57 1.148 . . . . 0.0 112.157 171.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.3 p -96.95 -7.77 32.35 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.03 1.332 . . . . 0.0 113.322 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -54.64 53.57 Favored Pre-proline 0 N--CA 1.471 0.622 0 C-N-CA 125.812 1.645 . . . . 0.0 112.521 170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.69 78.65 3.02 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.687 2.258 . . . . 0.0 111.263 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.19 89.1 0.32 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.736 1.614 . . . . 0.0 110.424 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.42 -56.52 1.51 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.494 1.517 . . . . 0.0 111.7 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.264 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 117.09 -1.434 . . . . 0.0 112.705 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 67.7 Cg_endo -73.51 74.7 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.361 2.04 . . . . 0.0 108.119 170.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 150.78 2.33 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 169.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.09 151.54 0.9 Allowed Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.865 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -68.99 1.97 3.49 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 113.243 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.6 t 58.69 12.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 127.775 2.43 . . . . 0.0 111.408 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -151.38 87.77 4.48 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 127.47 2.308 . . . . 0.0 109.109 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -69.17 -7.49 21.02 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 122.616 2.211 . . . . 0.0 113.635 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.32 115.17 1.69 Allowed Glycine 0 C--O 1.215 -1.046 0 C-N-CA 126.189 1.852 . . . . 0.0 110.438 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 62.12 175.77 0.13 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.395 1.478 . . . . 0.0 112.902 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -155.21 70.11 0.73 Allowed 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 122.342 1.068 . . . . 0.0 109.705 171.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.05 164.21 39.21 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.677 -0.639 . . . . 0.0 110.231 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.23 142.23 1.2 Allowed Pre-proline 0 C--O 1.242 0.675 0 C-N-CA 123.309 0.644 . . . . 0.0 110.0 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.86 -10.37 22.39 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 122.702 2.268 . . . . 0.0 112.267 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.15 -9.56 27.65 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 177.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -104.91 -32.9 8.56 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.892 1.224 . . . . 0.0 110.717 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -43.73 88.29 Favored 'General case' 0 N--CA 1.461 0.086 0 C-N-CA 124.182 0.993 . . . . 0.0 111.435 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.64 -26.55 68.44 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -47.95 17.62 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.963 0.905 . . . . 0.0 112.476 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.36 -47.03 47.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.844 1.258 . . . . 0.0 111.361 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.62 -41.83 53.32 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.852 0.861 . . . . 0.0 112.594 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 m -59.27 -39.71 83.75 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.724 -0.61 . . . . 0.0 111.842 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.16 86.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.795 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.41 -48.89 77.9 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.445 1.02 . . . . 0.0 110.7 172.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -61.57 -45.93 92.03 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 121.834 -0.541 . . . . 0.0 112.089 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -47.51 83.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.73 0.812 . . . . 0.0 111.567 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -59.35 -46.85 87.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.396 1.879 . . . . 0.0 111.594 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.2 mm -63.78 -47.59 90.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.491 0.716 . . . . 0.0 110.739 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.99 -34.72 70.27 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.777 0.717 . . . . 0.0 112.786 173.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 mtp -72.16 -38.26 69.19 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.225 1.01 . . . . 0.0 112.793 174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.36 -31.17 71.79 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.764 1.226 . . . . 0.0 112.533 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -91.43 -19.74 22.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.12 146.72 0.09 OUTLIER Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 129.825 3.25 . . . . 0.0 111.553 -170.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.5 54.6 2.43 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 C-N-CA 122.619 2.212 . . . . 0.0 112.117 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -68.5 -17.01 64.08 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.838 -1.164 . . . . 0.0 112.62 172.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.51 123.05 40.37 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 125.759 1.624 . . . . 0.0 110.414 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 118.97 -2.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.74 120.16 6.28 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.645 2.897 . . . . 0.0 111.173 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.6 tp -161.66 116.28 1.98 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.077 1.351 . . . . 0.0 108.588 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 112.73 11.67 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.131 0.572 . . . . 0.0 110.426 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -73.68 -4.39 15.33 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.896 2.397 . . . . 0.0 114.029 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 p -162.53 166.23 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.824 2.45 . . . . 0.0 108.515 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.28 77.37 0.46 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.571 1.149 . . . . 0.0 113.013 172.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.46 -1.47 9.1 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.402 2.735 . . . . 0.0 113.915 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.85 -54.17 4.03 Favored Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.994 1.759 . . . . 0.0 112.13 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.82 172.89 6.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.847 1.259 . . . . 0.0 110.99 174.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -59.29 -78.26 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.535 1.534 . . . . 0.0 111.399 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.03 89.35 2.1 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 126.37 1.868 . . . . 0.0 107.996 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -55.42 137.23 69.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.009 0.923 . . . . 0.0 111.229 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -64.29 -20.03 66.3 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.074 1.849 . . . . 0.0 111.686 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -81.79 -14.28 56.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.347 1.059 . . . . 0.0 113.295 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -98.96 -36.76 9.64 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.917 0.887 . . . . 0.0 110.875 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -44.83 76.5 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.713 1.205 . . . . 0.0 111.251 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -23.96 67.63 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -80.26 -47.54 14.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.942 0.897 . . . . 0.0 112.259 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -51.25 -47.88 62.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.424 1.49 . . . . 0.0 110.837 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.01 -43.63 82.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.916 0.886 . . . . 0.0 112.818 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -43.71 95.11 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.602 . . . . 0.0 111.366 175.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.9 94.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.758 -1.115 . . . . 0.0 111.033 175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.22 -50.55 64.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.619 1.099 . . . . 0.0 110.699 171.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.27 74.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.36 0.527 . . . . 0.0 112.097 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -63.36 -37.89 89.02 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.343 0.657 . . . . 0.0 112.106 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -61.4 -47.25 86.67 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 126.671 1.988 . . . . 0.0 111.82 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 18.5 mm -59.02 -44.3 90.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 118.483 0.583 . . . . 0.0 111.941 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.16 -50.28 74.06 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 117.967 0.349 . . . . 0.0 110.6 173.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.8 ttp -59.02 -38.58 79.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.053 0.941 . . . . 0.0 112.979 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.76 -20.47 66.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.104 1.362 . . . . 0.0 113.121 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 16.2 m -110.97 34.56 3.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.897 1.679 . . . . 0.0 109.755 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 158.95 6.91 Favored Pre-proline 0 CA--C 1.541 0.626 0 C-N-CA 123.912 0.885 . . . . 0.0 112.318 174.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.25 92.18 0.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.127 2.551 . . . . 0.0 110.587 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -136.07 55.06 1.87 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.264 1.026 . . . . 0.0 112.218 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 57.42 71.83 0.55 Allowed 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 123.56 1.648 . . . . 0.0 113.209 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 O-C-N 119.123 -2.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.41 62.08 5.25 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.468 3.445 . . . . 0.0 111.091 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -168.62 1.95 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.749 1.219 . . . . 0.0 110.404 169.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 67.73 70.6 0.44 Allowed Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.309 1.444 . . . . 0.0 108.782 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.36 -168.23 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.465 2.11 . . . . 0.0 111.059 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 m -46.3 154.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.179 0.991 . . . . 0.0 111.393 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 62.32 163.11 0.11 Allowed Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 113.266 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -69.27 127.89 15.67 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.415 1.41 . . . . 0.0 110.306 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.5 -39.81 24.79 Favored Glycine 0 CA--C 1.536 1.378 0 CA-C-O 119.088 -0.84 . . . . 0.0 113.618 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 63.19 177.78 0.15 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.928 1.691 . . . . 0.0 112.536 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -78.92 51.17 1.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.883 -1.76 . . . . 0.0 111.734 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 55.43 -169.92 0.08 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.517 1.527 . . . . 0.0 112.181 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.441 HG23 ' CB ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -154.77 141.51 13.32 Favored Pre-proline 0 C--O 1.241 0.619 0 O-C-N 121.001 -1.062 . . . . 0.0 110.827 177.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -64.96 -18.91 63.53 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.393 2.062 . . . . 0.0 111.628 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -21.1 34.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.441 0.696 . . . . 0.0 112.801 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' CB ' HG23 ' A' ' 13' ' ' THR . 5.1 tp60 -94.31 -39.8 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.218 1.007 . . . . 0.0 110.394 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -43.54 81.42 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.97 -24.48 66.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -45.64 18.21 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.356 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -51.61 -48.4 63.27 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.028 1.331 . . . . 0.0 111.094 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -71.33 -40.72 70.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.207 1.003 . . . . 0.0 112.621 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -42.0 96.39 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.314 -0.866 . . . . 0.0 112.226 174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 117.29 -1.338 . . . . 0.0 110.361 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.2 -54.04 49.3 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 120.263 1.392 . . . . 0.0 110.283 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -55.87 -42.19 75.53 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.703 0.683 . . . . 0.0 110.858 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -51.44 31.15 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-O 118.21 -0.9 . . . . 0.0 112.699 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 70.9 t80 -53.31 -39.04 63.7 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 126.336 1.854 . . . . 0.0 110.262 175.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.7 mt -67.81 -45.53 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.762 1.165 . . . . 0.0 111.621 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -43.72 85.86 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.226 0.61 . . . . 0.0 111.675 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.428 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -78.07 -26.62 48.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.722 1.209 . . . . 0.0 113.924 179.438 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -42.94 57.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.3 1.04 . . . . 0.0 111.67 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.1 -1.18 56.7 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -52.9 50.06 Favored Pre-proline 0 N--CA 1.469 0.483 0 C-N-CA 126.033 1.733 . . . . 0.0 112.662 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -74.68 105.25 2.03 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.006 1.804 . . . . 0.0 110.446 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.61 86.79 0.38 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.736 1.215 . . . . 0.0 110.51 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -106.45 148.61 27.94 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.881 0.872 . . . . 0.0 111.945 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.85 0 O-C-N 119.54 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 117.017 -1.468 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.94 62.72 5.86 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.79 2.993 . . . . 0.0 110.675 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.48 174.79 4.55 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.121 1.768 . . . . 0.0 109.938 175.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.06 142.33 13.84 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -65.53 124.67 13.17 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.357 2.038 . . . . 0.0 109.679 -178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.2 m -52.4 151.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 123.772 0.829 . . . . 0.0 110.598 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -27.06 91.79 0.05 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.104 2.161 . . . . 0.0 113.746 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -79.06 -5.26 14.41 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 122.096 1.864 . . . . 0.0 112.713 -173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.79 -95.14 0.11 Allowed Glycine 0 C--N 1.343 0.924 0 C-N-CA 126.012 1.768 . . . . 0.0 111.657 173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 39.9 79.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.95 2.1 . . . . 0.0 114.09 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.26 77.58 0.26 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.851 1.31 . . . . 0.0 111.206 -170.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 176.24 5.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.398 1.079 . . . . 0.0 111.215 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 p -52.89 103.72 0.39 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.455 2.302 . . . . 0.0 112.549 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -69.42 -43.24 3.07 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.132 2.555 . . . . 0.0 111.879 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.27 -17.18 64.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.364 1.466 . . . . 0.0 112.512 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -99.89 -27.94 13.36 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.32 1.848 . . . . 0.0 112.147 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -47.18 70.1 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.215 1.406 . . . . 0.0 110.57 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.9 65.78 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.05 -49.0 14.84 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-O 117.757 -1.116 . . . . 0.0 112.541 175.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.73 -50.99 59.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.202 1.401 . . . . 0.0 111.538 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -62.22 -43.71 98.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t -65.28 -37.06 86.0 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.129 -0.357 . . . . 0.0 111.571 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.44 94.1 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-O 117.243 -1.36 . . . . 0.0 110.399 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.5 tp -54.78 -48.02 73.21 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.145 1.339 . . . . 0.0 110.717 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 177.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -37.69 88.48 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 39.5 t80 -62.31 -48.03 81.65 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 126.189 1.796 . . . . 0.0 110.98 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.46 -47.51 84.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 C-N-CA 123.211 0.605 . . . . 0.0 110.49 173.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -58.44 -47.51 83.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.434 0.561 . . . . 0.0 111.433 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 ttp -58.83 -46.26 88.07 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.904 0.882 . . . . 0.0 112.327 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 27.4 mt -64.61 -21.8 66.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.358 1.463 . . . . 0.0 113.18 174.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -106.15 20.58 18.73 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.905 1.682 . . . . 0.0 110.794 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -48.78 -55.91 17.68 Favored Pre-proline 0 N--CA 1.473 0.721 0 O-C-N 121.072 -1.018 . . . . 0.0 112.774 171.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -75.49 94.95 0.98 Allowed 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.42 2.08 . . . . 0.0 110.492 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.32 -39.71 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.888 1.275 . . . . 0.0 111.669 175.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.11 135.99 47.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.256 1.422 . . . . 0.0 111.372 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.573 0 O-C-N 119.638 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.537 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 56.0 Cg_endo -71.3 176.46 7.88 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 121.702 1.601 . . . . 0.0 110.774 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 66.17 138.74 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.804 2.042 . . . . 0.0 112.249 -174.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.17 152.58 96.39 Favored Pre-proline 0 CA--C 1.548 0.874 0 O-C-N 121.342 -0.849 . . . . 0.0 111.76 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.73 56.19 3.43 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 124.231 3.287 . . . . 0.0 113.405 -176.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.8 t 64.14 152.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 109.832 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 54.19 87.08 0.15 Allowed Pre-proline 0 CA--C 1.554 1.103 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.8 68.17 3.82 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.841 2.361 . . . . 0.0 111.961 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.34 103.76 0.47 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 126.27 1.89 . . . . 0.0 111.783 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.7 166.45 13.14 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.427 0.691 . . . . 0.0 111.117 174.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -133.21 81.68 1.95 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.223 1.409 . . . . 0.0 110.513 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.4 171.7 7.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.443 0.697 . . . . 0.0 111.015 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 t -53.22 137.44 48.77 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 123.967 0.907 . . . . 0.0 112.114 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -64.43 -18.68 63.87 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.106 1.871 . . . . 0.0 112.25 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -14.02 56.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 0.0 113.038 178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.03 -35.83 9.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.121 0.968 . . . . 0.0 110.43 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -44.12 76.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.116 0.967 . . . . 0.0 111.731 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.82 -26.96 69.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -49.01 18.99 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.756 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -54.09 -49.44 69.1 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.498 1.519 . . . . 0.0 111.647 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.35 -48.85 79.41 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.57 0.748 . . . . 0.0 112.119 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -60.98 -39.97 91.65 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.677 -0.639 . . . . 0.0 110.887 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.11 99.46 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-O 117.328 -1.32 . . . . 0.0 110.943 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.87 -47.84 79.51 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.233 1.379 . . . . 0.0 110.712 174.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -58.13 -51.97 67.5 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.52 0.6 . . . . 0.0 110.86 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -64.99 -41.2 95.63 Favored 'General case' 0 C--O 1.225 -0.209 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -57.98 -48.49 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 126.354 1.861 . . . . 0.0 111.041 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 32' ' ' THR . 77.7 mt -56.03 -52.49 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.392 172.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -53.29 -47.88 68.83 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.453 1.024 . . . . 0.0 111.77 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.25 1.42 . . . . 0.0 114.592 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 mt -79.1 -19.66 50.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.084 1.354 . . . . 0.0 112.289 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.7 p -90.43 -21.45 21.91 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 124.557 1.143 . . . . 0.0 112.896 175.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.23 92.47 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 114.006 173.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -75.7 -0.64 10.42 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.157 2.571 . . . . 0.0 114.538 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 161.01 -75.63 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 129.424 3.09 . . . . 0.0 113.758 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.58 -46.8 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 124.836 1.254 . . . . 0.0 111.145 -172.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 119.339 -2.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -70.03 109.68 2.42 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.839 2.359 . . . . 0.0 109.812 175.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 171.57 2.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.866 0.841 . . . . 0.0 111.535 171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 156.13 32.11 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 123.201 0.6 . . . . 0.0 112.367 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -69.53 -173.63 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.255 2.636 . . . . 0.0 111.653 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -41.71 123.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.395 1.478 . . . . 0.0 111.939 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.05 86.9 4.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -173.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -71.74 145.86 47.16 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 121.593 1.529 . . . . 0.0 110.291 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.61 89.79 0.11 Allowed Glycine 0 CA--C 1.519 0.309 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t70 68.47 168.66 0.28 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.621 1.968 . . . . 0.0 112.983 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -138.11 80.47 1.8 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.788 1.235 . . . . 0.0 109.662 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.64 -174.37 1.86 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.525 1.93 . . . . 0.0 108.431 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 84.96 155.51 0.11 Allowed Pre-proline 0 N--CA 1.47 0.546 0 C-N-CA 127.556 2.342 . . . . 0.0 112.327 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.32 -37.42 10.26 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.136 2.557 . . . . 0.0 112.107 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -24.2 67.79 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.308 1.043 . . . . 0.0 113.063 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -93.39 -35.7 12.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.219 1.008 . . . . 0.0 111.168 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -46.92 70.54 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.133 0.973 . . . . 0.0 111.273 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.96 -27.26 68.72 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.957 0.903 . . . . 0.0 111.323 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -46.98 20.28 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.257 1.023 . . . . 0.0 112.217 175.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -51.15 -51.13 56.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.5 1.52 . . . . 0.0 111.644 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.84 -44.2 90.58 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -43.27 89.86 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.078 -1.013 . . . . 0.0 111.623 175.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.97 -42.15 97.76 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.265 -1.35 . . . . 0.0 110.912 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -54.48 -50.25 68.2 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 120.346 1.43 . . . . 0.0 111.015 172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -58.69 -50.09 75.17 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 121.669 -0.644 . . . . 0.0 111.694 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -63.87 -40.81 97.42 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.042 0.537 . . . . 0.0 111.962 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -60.06 -46.7 88.69 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 125.68 1.592 . . . . 0.0 111.675 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 mm -61.3 -45.64 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.712 0.805 . . . . 0.0 111.255 175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -56.87 -45.83 82.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.7 0.8 . . . . 0.0 110.693 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.8 mmm -64.69 -45.57 86.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.043 0.937 . . . . 0.0 112.828 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -47.62 80.08 Favored 'General case' 0 C--O 1.23 0.073 0 C-N-CA 123.875 0.87 . . . . 0.0 111.17 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 m -93.23 30.02 1.77 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.978 0.911 . . . . 0.0 110.83 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.09 -54.49 37.18 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.486 1.115 . . . . 0.0 112.607 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -76.19 82.51 2.19 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.377 2.052 . . . . 0.0 111.201 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttp85 -163.64 87.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.161 1.384 . . . . 0.0 111.25 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.3 t80 53.73 77.95 0.17 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 123.785 1.755 . . . . 0.0 112.88 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 118.596 -2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 117.391 -1.29 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 43.9 Cg_endo -70.72 153.72 64.35 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.429 1.419 . . . . 0.0 110.656 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 50.11 66.81 1.03 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.087 1.355 . . . . 0.0 112.028 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -56.35 36.63 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.97 0.908 . . . . 0.0 112.75 174.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -76.77 107.21 2.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.716 2.278 . . . . 0.0 111.053 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.1 t -59.02 143.12 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 124.14 0.976 . . . . 0.0 109.327 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.05 89.62 8.44 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.079 1.351 . . . . 0.0 110.051 178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.45 -6.26 18.07 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.886 2.391 . . . . 0.0 113.9 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.12 100.72 2.52 Favored Glycine 0 C--N 1.346 1.125 0 C-N-CA 125.533 1.539 . . . . 0.0 111.137 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -133.1 83.05 2.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.844 0.857 . . . . 0.0 109.803 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -157.75 97.64 1.59 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.343 1.057 . . . . 0.0 110.263 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.65 179.89 3.93 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.351 1.06 . . . . 0.0 110.835 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -145.9 145.07 23.72 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.011 0.924 . . . . 0.0 110.533 -176.48 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -71.15 153.7 62.31 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.066 2.511 . . . . 0.0 110.858 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 55.73 4.7 0.12 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.933 1.693 . . . . 0.0 113.937 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HB3' HG23 ' A' ' 13' ' ' THR . 14.2 tp60 -103.97 -36.29 7.82 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 120.718 -1.238 . . . . 0.0 110.479 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.57 -45.44 83.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 120.13 1.332 . . . . 0.0 111.386 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -23.22 65.12 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 174.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.3 -44.27 17.91 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 117.797 -1.097 . . . . 0.0 112.24 177.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -49.62 60.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.082 1.753 . . . . 0.0 110.88 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -69.93 -42.36 73.36 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -63.31 -43.15 98.65 Favored 'General case' 0 C--N 1.344 0.36 0 O-C-N 121.074 -1.016 . . . . 0.0 112.014 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.88 73.27 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 125.547 1.539 . . . . 0.0 111.54 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.13 -60.27 3.84 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.721 1.208 . . . . 0.0 110.044 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -26.04 68.36 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 118.649 -0.691 . . . . 0.0 112.308 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -57.53 12.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 124.59 1.156 . . . . 0.0 111.495 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.08 -34.23 76.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.091 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.66 -45.41 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 O-C-N 120.898 -1.126 . . . . 0.0 111.401 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.69 -46.94 83.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.919 0.488 . . . . 0.0 110.718 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -35.3 79.91 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.58 -28.24 64.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.687 0.795 . . . . 0.0 113.075 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 m -105.12 20.95 17.96 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.48 1.112 . . . . 0.0 111.446 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -58.89 -55.49 45.78 Favored Pre-proline 0 N--CA 1.469 0.516 0 C-N-CA 124.293 1.037 . . . . 0.0 112.781 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.25 84.31 1.86 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.506 2.138 . . . . 0.0 110.847 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 84.48 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.105 1.362 . . . . 0.0 111.142 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.93 119.98 12.8 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 110.884 -177.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 116.932 -1.509 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.49 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 30.6 Cg_endo -69.22 158.85 56.1 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.21 1.273 . . . . 0.0 110.552 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.55 142.88 39.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.997 1.319 . . . . 0.0 109.312 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.85 169.18 0.07 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 125.721 1.608 . . . . 0.0 113.783 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -75.17 150.61 37.69 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 121.808 1.672 . . . . 0.0 111.606 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.1 t -85.72 18.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.321 1.049 . . . . 0.0 110.904 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -118.9 154.31 52.96 Favored Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.701 1.6 . . . . 0.0 110.818 -177.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -71.79 -3.65 13.56 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.89 2.393 . . . . 0.0 113.22 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.58 -60.96 4.82 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.257 1.408 . . . . 0.0 110.852 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.78 121.99 5.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.987 1.715 . . . . 0.0 110.019 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -172.06 73.09 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.215 1.006 . . . . 0.0 111.36 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.76 107.53 0.06 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.407 1.483 . . . . 0.0 112.024 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.67 160.37 50.89 Favored Pre-proline 0 C--O 1.243 0.722 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -174.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -68.5 -11.03 30.78 Favored 'Trans proline' 0 CA--C 1.536 0.581 0 C-N-CA 122.791 2.327 . . . . 0.0 113.087 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 -14.15 13.36 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.644 1.177 . . . . 0.0 112.856 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -97.56 -23.95 15.77 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.7 1.6 . . . . 0.0 111.83 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -42.35 71.4 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.006 1.322 . . . . 0.0 111.755 176.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.39 -33.25 74.39 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 174.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -37.3 65.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.323 0.649 . . . . 0.0 112.183 174.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.33 -57.88 9.72 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.964 1.706 . . . . 0.0 111.747 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -59.59 -45.01 93.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.292 0.637 . . . . 0.0 112.275 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.7 m -64.84 -37.92 89.23 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.53 -0.731 . . . . 0.0 111.779 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.82 99.76 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.203 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD11 HD11 ' A' ' 28' ' ' ILE . 5.2 tp -55.11 -44.75 75.24 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.822 1.192 . . . . 0.0 110.716 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -53.08 60.87 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.373 0.533 . . . . 0.0 111.987 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.9 90.68 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.063 0.945 . . . . 0.0 111.444 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' CE2' HD11 ' A' ' 31' ' ' LEU . 9.6 t80 -61.65 -58.43 8.09 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.942 1.697 . . . . 0.0 109.451 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 72.6 mt -52.72 -39.58 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 119.437 1.017 . . . . 0.0 111.414 177.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -63.6 1.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.787 -0.571 . . . . 0.0 111.114 169.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mtm -62.96 -12.89 28.62 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 28' ' ' ILE . 20.1 mt -76.36 -26.93 56.18 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.993 1.317 . . . . 0.0 111.698 172.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.0 p -146.12 69.94 1.22 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.541 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.99 -60.21 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.037 0 C-N-CA 126.858 2.063 . . . . 0.0 112.442 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.9 118.03 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.856 3.038 . . . . 0.0 109.24 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 165.22 -30.73 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.968 2.907 . . . . 0.0 112.821 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 50.72 78.86 0.1 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.335 1.454 . . . . 0.0 112.179 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 118.731 -2.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 116.968 -1.492 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 32.5 Cg_endo -69.54 168.85 20.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.605 1.537 . . . . 0.0 111.226 174.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.82 133.02 34.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.807 0.843 . . . . 0.0 110.235 175.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -55.69 16.37 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 124.11 0.964 . . . . 0.0 112.413 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -72.62 163.21 39.17 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 121.427 1.418 . . . . 0.0 111.059 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 m -64.84 176.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 122.123 0.963 . . . . 0.0 111.39 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -91.22 154.18 44.73 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.369 1.067 . . . . 0.0 111.811 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -73.8 -14.48 24.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.995 2.463 . . . . 0.0 113.069 173.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.14 94.5 1.48 Allowed Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.109 1.337 . . . . 0.0 110.597 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.99 146.27 31.29 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.082 0.953 . . . . 0.0 109.344 175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 65.98 119.19 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.656 1.182 . . . . 0.0 110.906 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.98 -170.4 0.05 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.261 1.029 . . . . 0.0 111.009 170.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -140.07 144.02 36.31 Favored Pre-proline 0 CA--C 1.541 0.613 0 O-C-N 120.697 -1.252 . . . . 0.0 109.932 -174.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -67.77 152.71 77.27 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.986 1.791 . . . . 0.0 110.269 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 61.41 -8.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.69 1.596 . . . . 0.0 114.835 -172.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HB3' HG23 ' A' ' 13' ' ' THR . 48.5 tp60 -96.7 -31.72 12.54 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 120.398 -1.439 . . . . 0.0 111.956 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -72.12 -42.9 65.52 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.068 0.947 . . . . 0.0 111.648 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.19 72.11 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.167 -0.333 . . . . 0.0 111.169 173.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -74.74 -34.75 62.59 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.671 -0.681 . . . . 0.0 112.654 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -55.8 -53.17 59.97 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.508 1.523 . . . . 0.0 111.303 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -73.54 -38.75 65.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.427 0.691 . . . . 0.0 112.363 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 t -60.33 -41.26 93.21 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.027 0.931 . . . . 0.0 111.168 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.38 97.4 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 117.518 -1.23 . . . . 0.0 111.56 172.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 28' ' ' ILE . 4.6 tp -56.48 -45.44 80.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.985 1.266 . . . . 0.0 110.59 175.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.97 67.71 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.18 0.592 . . . . 0.0 112.199 177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -67.01 -39.44 87.07 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.52 -47.09 85.32 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.794 1.638 . . . . 0.0 112.175 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.4 HD11 HD11 ' A' ' 24' ' ' LEU . 63.9 mt -56.06 -47.59 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.134 0.574 . . . . 0.0 110.503 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -58.81 -48.02 82.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.419 0.554 . . . . 0.0 111.266 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.4 mtp -59.67 -35.07 73.72 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.536 -1.353 . . . . 0.0 113.47 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.35 -34.5 77.85 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.882 0.873 . . . . 0.0 112.196 172.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -148.02 72.18 1.21 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.218 1.407 . . . . 0.0 112.13 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 155.29 9.89 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 124.644 1.177 . . . . 0.0 112.684 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.08 15.52 0.61 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.694 2.929 . . . . 0.0 113.307 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -50.4 -26.65 5.22 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.987 1.715 . . . . 0.0 112.75 172.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.51 -47.5 4.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.665 1.986 . . . . 0.0 113.239 174.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 119.53 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 116.685 -1.626 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -70.1 -79.05 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.222 1.948 . . . . 0.0 110.633 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -169.14 38.28 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.024 1.33 . . . . 0.0 112.202 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.07 65.53 5.33 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 125.778 1.631 . . . . 0.0 112.124 -169.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.92 54.62 4.14 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 124.176 3.251 . . . . 0.0 111.485 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 m 47.36 -153.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 128.226 2.61 . . . . 0.0 111.078 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -113.3 86.08 9.33 Favored Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 121.299 -0.876 . . . . 0.0 109.908 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -73.67 172.31 16.05 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.621 2.214 . . . . 0.0 111.148 174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.01 -31.39 4.74 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.827 1.203 . . . . 0.0 112.655 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.74 151.57 10.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.04 0.924 . . . . 0.0 111.66 170.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -159.53 103.16 1.57 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.903 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.774 ' HB3' ' HG2' ' A' ' 17' ' ' MET . . . -128.59 -175.15 3.44 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.253 1.021 . . . . 0.0 110.811 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.55 160.33 75.15 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 122.941 0.496 . . . . 0.0 110.517 -177.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -67.28 -10.37 28.41 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.771 2.314 . . . . 0.0 112.971 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -115.44 -10.15 12.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.818 1.247 . . . . 0.0 112.884 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -100.6 -25.31 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.914 1.286 . . . . 0.0 112.111 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.774 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -66.09 -45.62 80.57 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.662 1.185 . . . . 0.0 111.902 175.586 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -25.46 67.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 174.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -82.48 -44.78 15.56 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 123.966 0.906 . . . . 0.0 112.786 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -52.44 -48.55 65.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.668 1.187 . . . . 0.0 111.303 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -67.81 -44.9 76.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.247 0.619 . . . . 0.0 112.542 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.8 p -64.46 -37.54 87.9 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.438 -0.789 . . . . 0.0 111.957 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.062 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 HD11 ' A' ' 28' ' ' ILE . 2.8 mt -56.24 -48.03 77.32 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.181 0.901 . . . . 0.0 111.575 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -53.34 57.87 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.733 0.697 . . . . 0.0 111.738 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -45.5 91.11 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.507 0.723 . . . . 0.0 111.724 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE2' HD11 ' A' ' 31' ' ' LEU . 29.5 t80 -62.97 -55.07 29.04 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.964 1.705 . . . . 0.0 111.871 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 24' ' ' LEU . 60.6 mt -53.87 -42.37 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.856 1.262 . . . . 0.0 111.075 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -56.38 -60.72 3.11 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 119.133 -0.461 . . . . 0.0 110.784 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -25.98 48.05 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD11 ' CE2' ' A' ' 27' ' ' TYR . 16.7 mt -72.85 -25.68 61.2 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.448 -1.408 . . . . 0.0 112.875 172.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.46 63.28 1.32 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.384 1.074 . . . . 0.0 112.484 -174.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -167.59 -55.31 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.288 1.835 . . . . 0.0 112.854 175.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' H ' ' A' ' 33' ' ' ARG . 39.6 Cg_endo -75.13 122.13 6.96 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.17 2.58 . . . . 0.0 109.649 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.28 -37.79 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.927 2.091 . . . . 0.0 111.787 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -150.79 98.31 2.59 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 126.282 1.833 . . . . 0.0 109.445 -170.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.568 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.81 159.43 53.38 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.261 1.974 . . . . 0.0 111.157 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.83 135.34 51.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 110.893 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -96.2 161.84 25.75 Favored Pre-proline 0 CA--C 1.546 0.812 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -74.82 112.64 3.61 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.831 3.021 . . . . 0.0 111.628 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.53 144.05 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.101 1.36 . . . . 0.0 108.297 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -134.92 157.74 76.44 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 124.64 1.176 . . . . 0.0 110.209 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -74.37 -11.63 22.76 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.595 2.197 . . . . 0.0 113.456 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.88 48.7 76.56 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 125.751 1.643 . . . . 0.0 113.569 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.63 87.53 0.11 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.408 2.283 . . . . 0.0 112.116 -177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -147.96 95.05 2.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.565 -0.709 . . . . 0.0 111.575 -174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.57 163.46 37.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.194 1.398 . . . . 0.0 110.452 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -159.15 160.73 28.67 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 123.472 0.709 . . . . 0.0 110.94 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.49 -40.53 2.92 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 123.556 2.838 . . . . 0.0 112.711 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -62.89 -24.76 67.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.724 1.209 . . . . 0.0 112.429 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -89.43 -23.87 22.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.798 1.239 . . . . 0.0 112.023 173.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -45.46 65.5 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.347 1.059 . . . . 0.0 110.769 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.85 -29.23 64.82 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -48.05 24.48 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.672 175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -49.26 -48.42 45.83 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.82 1.248 . . . . 0.0 110.877 175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -71.47 -41.27 69.58 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -41.57 94.54 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.132 0.573 . . . . 0.0 111.889 174.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.99 94.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.575 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -50.03 74.53 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 118.776 0.717 . . . . 0.0 110.933 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -54.93 -52.46 62.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.831 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.66 80.77 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 122.925 0.49 . . . . 0.0 112.2 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.85 -41.84 78.63 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 126.164 1.786 . . . . 0.0 111.719 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mm -70.27 -44.35 77.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.57 1.148 . . . . 0.0 110.736 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -31.06 70.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.582 -0.723 . . . . 0.0 111.996 172.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -24.69 23.56 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.988 1.715 . . . . 0.0 113.994 178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -64.4 -55.21 22.51 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.66 1.184 . . . . 0.0 109.795 175.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.4 m -93.12 6.11 49.14 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.413 0.685 . . . . 0.0 112.177 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -50.22 67.69 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.325 1.45 . . . . 0.0 113.932 172.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -79.26 8.5 3.83 Favored 'Trans proline' 0 CA--C 1.536 0.584 0 C-N-CA 122.925 2.417 . . . . 0.0 113.663 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.34 74.41 0.44 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 126.968 2.107 . . . . 0.0 112.013 176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.69 138.97 27.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.757 0.789 . . . . 0.0 111.189 -175.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 119.792 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 116.388 -1.768 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 23.9 Cg_endo -69.17 -31.8 22.37 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.689 1.592 . . . . 0.0 113.112 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.97 115.85 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 128.013 2.525 . . . . 0.0 112.073 -175.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 67.77 3.9 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 124.914 1.286 . . . . 0.0 112.372 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -72.53 80.65 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 123.471 2.781 . . . . 0.0 111.753 -174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -134.82 154.02 35.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 126.621 1.968 . . . . 0.0 109.625 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -123.41 151.78 63.47 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 110.205 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -72.62 132.62 19.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.884 2.389 . . . . 0.0 110.439 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.5 53.38 0.67 Allowed Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.307 0.956 . . . . 0.0 112.846 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 58.05 85.55 0.09 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.853 2.061 . . . . 0.0 112.904 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -164.02 86.78 0.49 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.14 0.976 . . . . 0.0 110.12 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.47 164.91 26.82 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.389 0.676 . . . . 0.0 110.743 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 p -146.6 157.6 47.79 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 123.973 0.909 . . . . 0.0 110.135 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -68.51 -5.44 15.21 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.831 2.354 . . . . 0.0 113.367 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -104.73 -18.62 14.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.595 1.158 . . . . 0.0 112.708 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -98.4 -34.58 10.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 110.831 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.31 -41.31 73.47 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.527 1.531 . . . . 0.0 111.64 177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.91 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.671 0.272 . . . . 0.0 111.663 173.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -22.8 35.76 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.534 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -71.24 -57.65 4.28 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 125.691 1.596 . . . . 0.0 110.542 173.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -58.74 -46.0 88.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -62.52 -41.21 98.69 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 121.635 -0.666 . . . . 0.0 112.445 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.29 90.54 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-O 117.34 -1.314 . . . . 0.0 112.082 172.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -57.42 -45.74 84.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 120.628 1.558 . . . . 0.0 110.139 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -59.6 -54.06 50.89 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.167 175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -43.73 98.44 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.429 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -55.11 -50.01 70.28 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.797 1.639 . . . . 0.0 110.987 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.91 -46.98 90.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-N 119.134 0.879 . . . . 0.0 110.666 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -12.08 59.13 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.9 ttt -105.38 -28.83 10.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.413 1.885 . . . . 0.0 111.598 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -53.49 -58.97 5.25 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.149 1.779 . . . . 0.0 109.186 179.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -71.34 -25.45 62.41 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.764 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 60.37 143.29 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 129.712 3.205 . . . . 0.0 111.023 -170.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.32 60.06 3.96 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.326 2.017 . . . . 0.0 110.628 167.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.2 ttt-85 -71.64 -13.25 61.7 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.912 1.285 . . . . 0.0 111.756 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -82.49 145.57 29.73 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.216 1.406 . . . . 0.0 111.894 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.633 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.529 -1.224 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -85.82 -36.72 0.12 Allowed 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.194 2.596 . . . . 0.0 114.162 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.63 96.66 5.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.138 1.375 . . . . 0.0 108.296 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.55 154.74 63.15 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.769 0.827 . . . . 0.0 112.789 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.76 119.05 4.66 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 123.102 2.535 . . . . 0.0 111.682 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -19.43 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.437 0.695 . . . . 0.0 112.588 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -163.86 83.4 1.34 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 111.517 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -73.61 103.26 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.45 2.767 . . . . 0.0 111.529 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.35 75.86 0.2 Allowed Glycine 0 C--N 1.343 0.937 0 C-N-CA 123.916 0.769 . . . . 0.0 112.365 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 48.78 80.25 0.06 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.399 2.28 . . . . 0.0 113.472 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -76.26 -90.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.138 0.975 . . . . 0.0 111.847 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.7 152.18 22.77 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.868 1.267 . . . . 0.0 110.452 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.01 157.91 87.91 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 0.0 111.973 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -69.47 -41.35 4.73 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 112.292 -175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -28.9 69.6 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 0.0 111.848 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.88 -24.91 28.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.179 0.992 . . . . 0.0 112.054 173.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.71 -43.91 62.39 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.499 1.519 . . . . 0.0 111.156 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.48 72.06 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -37.52 61.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.866 0.866 . . . . 0.0 112.582 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -59.38 -56.21 24.91 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.89 1.676 . . . . 0.0 111.458 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -62.08 -43.66 98.36 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 122.865 0.466 . . . . 0.0 112.122 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 -41.39 98.26 Favored 'General case' 0 C--O 1.232 0.166 0 O-C-N 122.121 -0.362 . . . . 0.0 111.593 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.16 94.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 117.021 -1.466 . . . . 0.0 111.435 173.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -53.62 55.17 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 120.525 1.511 . . . . 0.0 110.213 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -55.52 -49.2 73.24 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.441 0.564 . . . . 0.0 111.091 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -44.89 88.58 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-O 117.898 -1.048 . . . . 0.0 111.889 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 46.7 t80 -56.57 -42.66 78.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 126.538 1.935 . . . . 0.0 110.635 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.3 mm -69.11 -34.01 61.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 O-C-N 120.913 -1.117 . . . . 0.0 111.043 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -70.55 -45.48 65.39 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.246 -0.909 . . . . 0.0 112.873 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.7 -34.62 69.78 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.002 1.721 . . . . 0.0 113.01 178.076 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 36.3 mt -63.6 -22.26 66.8 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 172.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.3 m -121.98 21.35 10.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.003 1.721 . . . . 0.0 111.016 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -66.42 -56.99 13.58 Favored Pre-proline 0 N--CA 1.473 0.695 0 O-C-N 120.702 -1.248 . . . . 0.0 111.777 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -73.49 150.75 46.57 Favored 'Trans proline' 0 C--N 1.355 0.868 0 C-N-CA 121.49 1.46 . . . . 0.0 110.207 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.03 67.53 0.99 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.866 1.666 . . . . 0.0 113.301 -175.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -154.97 136.43 14.18 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.56 1.144 . . . . 0.0 111.134 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 O-C-N 119.553 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.251 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.13 153.33 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.785 2.323 . . . . 0.0 112.239 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.41 70.53 0.89 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.155 1.382 . . . . 0.0 113.145 -174.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.34 -54.17 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.756 2.022 . . . . 0.0 110.092 -174.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 63.83 8.21 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.619 2.879 . . . . 0.0 111.079 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -10.13 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 126.77 2.028 . . . . 0.0 112.43 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.4 t80 54.88 83.36 0.23 Allowed Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 126.111 1.765 . . . . 0.0 111.528 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.85 145.27 61.91 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.483 1.455 . . . . 0.0 111.069 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.38 -69.7 0.36 Allowed Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.879 1.228 . . . . 0.0 111.631 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -134.89 126.61 29.06 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.656 1.583 . . . . 0.0 109.952 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 53.18 69.83 0.66 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.068 1.747 . . . . 0.0 114.409 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.31 155.35 34.96 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 124.374 1.069 . . . . 0.0 108.454 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t 52.6 140.79 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 128.641 2.776 . . . . 0.0 115.057 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -66.1 -21.73 55.52 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 O-C-N 119.057 -1.075 . . . . 0.0 111.536 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -16.88 61.06 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -102.34 -36.99 8.25 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.675 1.19 . . . . 0.0 110.533 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -41.55 83.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.098 0.959 . . . . 0.0 111.198 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 -25.89 64.88 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 121.954 -0.466 . . . . 0.0 111.919 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -48.68 17.38 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.968 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.13 -49.1 43.78 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.609 1.563 . . . . 0.0 110.927 177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.62 -45.55 75.07 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.862 0.865 . . . . 0.0 112.786 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -38.34 88.86 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.944 -1.098 . . . . 0.0 111.998 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.45 98.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.49 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.88 -48.91 74.74 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.181 0.9 . . . . 0.0 111.137 172.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.22 -51.7 67.12 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.62 0.646 . . . . 0.0 112.048 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -46.52 88.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 118.709 -0.663 . . . . 0.0 111.322 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.82 -49.14 74.07 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 126.265 1.826 . . . . 0.0 111.319 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.91 -46.38 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.246 174.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -45.0 74.99 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.143 0.883 . . . . 0.0 112.089 174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.75 78.05 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.099 1.36 . . . . 0.0 112.07 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.31 -27.24 67.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.191 0.996 . . . . 0.0 112.639 173.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -87.48 13.4 10.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.769 1.228 . . . . 0.0 112.142 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -54.98 35.69 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 119.952 -1.718 . . . . 0.0 113.709 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.77 14.44 1.26 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.862 2.375 . . . . 0.0 112.806 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 72.41 -7.08 1.44 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 127.436 2.294 . . . . 0.0 114.227 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.7 t80 55.03 73.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.969 2.107 . . . . 0.0 112.609 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 O-C-N 118.4 -2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 116.568 -1.682 . . . . 0.0 112.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 28.1 Cg_endo -70.91 -55.7 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.109 1.873 . . . . 0.0 111.293 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 147.47 15.17 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.789 1.636 . . . . 0.0 108.334 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 157.04 -62.85 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 129.913 3.285 . . . . 0.0 110.239 -173.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.58 115.39 4.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.396 2.064 . . . . 0.0 110.976 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t 67.96 148.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.51 1.924 . . . . 0.0 111.065 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -147.05 154.08 46.14 Favored Pre-proline 0 CA--C 1.544 0.723 0 O-C-N 121.205 -0.935 . . . . 0.0 110.786 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -77.79 165.36 26.78 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 123.168 2.579 . . . . 0.0 111.683 174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.53 89.42 1.07 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.835 0.731 . . . . 0.0 112.281 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -151.88 151.08 30.82 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.632 1.573 . . . . 0.0 108.936 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -150.22 86.38 1.42 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.149 1.379 . . . . 0.0 110.016 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.12 157.58 15.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.705 1.602 . . . . 0.0 107.976 173.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t 52.74 141.14 0.02 OUTLIER Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 128.332 2.653 . . . . 0.0 115.792 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -66.32 -21.47 54.28 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 O-C-N 118.348 -1.448 . . . . 0.0 111.857 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.54 -21.95 61.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -97.1 -36.7 10.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.625 1.17 . . . . 0.0 110.38 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -41.32 68.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.202 1.001 . . . . 0.0 111.94 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.16 -31.86 72.96 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 117.775 0.261 . . . . 0.0 111.17 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -38.44 64.45 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 117.912 -1.042 . . . . 0.0 111.424 173.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.59 -56.82 17.16 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 126.058 1.743 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.02 -49.21 78.77 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.167 0.587 . . . . 0.0 110.829 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -66.19 -40.55 90.52 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.913 0.485 . . . . 0.0 111.483 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.74 93.22 Favored 'General case' 0 C--O 1.208 -1.087 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.641 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.07 -49.33 69.28 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.663 1.574 . . . . 0.0 110.116 174.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -51.84 68.28 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 121.894 -0.504 . . . . 0.0 111.878 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -64.71 -37.35 87.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 118.8 -0.619 . . . . 0.0 112.322 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.652 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 43.4 t80 -58.91 -45.05 91.24 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 127.74 2.416 . . . . 0.0 111.19 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.57 -49.93 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.742 0.701 . . . . 0.0 110.871 171.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -59.22 -33.48 71.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.709 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mtp -73.31 -37.83 66.04 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.907 1.683 . . . . 0.0 114.125 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' CZ ' ' A' ' 27' ' ' TYR . 29.8 mt -70.61 -23.52 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.669 1.187 . . . . 0.0 112.641 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.49 -5.68 18.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.771 1.228 . . . . 0.0 113.688 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -52.46 68.93 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 127.094 2.158 . . . . 0.0 112.285 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -77.09 102.34 1.61 Allowed 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.708 2.272 . . . . 0.0 110.407 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.56 85.86 0.72 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.951 1.7 . . . . 0.0 109.607 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -131.72 160.85 34.29 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.335 1.064 . . . . 0.0 111.313 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 O-C-N 119.609 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 117.139 -1.41 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 33.9 Cg_endo -75.6 -52.33 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 121.52 1.48 . . . . 0.0 111.929 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.4 80.75 4.78 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.843 1.257 . . . . 0.0 109.675 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.76 150.38 42.13 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.931 0.892 . . . . 0.0 112.343 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.57 91.59 1.13 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.801 3.001 . . . . 0.0 111.666 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -156.3 171.14 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.671 1.588 . . . . 0.0 108.92 175.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -36.4 96.93 0.12 Allowed Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 127.087 2.155 . . . . 0.0 112.31 173.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.53 -9.28 13.59 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.648 2.232 . . . . 0.0 112.499 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.07 -112.06 2.72 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 125.462 1.506 . . . . 0.0 110.386 172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t0 58.75 92.25 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.474 1.51 . . . . 0.0 112.654 -178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 58.54 94.81 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.496 1.119 . . . . 0.0 112.799 -170.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.789 ' HB3' ' HG2' ' A' ' 17' ' ' MET . . . -109.31 175.48 5.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 122.144 0.973 . . . . 0.0 111.931 176.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -75.07 158.6 84.11 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.654 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.86 -9.67 25.59 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.392 2.062 . . . . 0.0 113.348 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.98 -11.47 17.4 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.323 1.449 . . . . 0.0 112.678 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.08 -31.07 8.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.053 1.341 . . . . 0.0 111.512 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.789 ' HG2' ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -71.14 -41.26 70.7 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.445 1.498 . . . . 0.0 111.632 174.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.03 70.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.424 0.631 . . . . 0.0 111.137 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -35.95 53.28 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.287 1.035 . . . . 0.0 111.736 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -63.04 -57.4 10.78 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.018 1.727 . . . . 0.0 112.447 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -54.45 -46.98 73.4 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.919 0.488 . . . . 0.0 112.088 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.3 t -59.9 -41.08 90.87 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.693 0.797 . . . . 0.0 111.262 177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -37.51 78.8 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.221 172.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.9 -54.4 45.51 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 120.269 1.395 . . . . 0.0 110.226 175.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -43.24 69.16 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 122.131 -0.356 . . . . 0.0 110.984 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -69.41 -51.71 33.81 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.516 0.727 . . . . 0.0 112.466 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 76.7 t80 -52.69 -32.05 40.61 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 126.996 2.118 . . . . 0.0 111.719 176.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 24' ' ' LEU . 83.8 mt -76.0 -44.33 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.499 0.72 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -62.67 -28.55 70.0 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.504 1.122 . . . . 0.0 112.665 177.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -94.24 -27.84 15.94 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.309 1.443 . . . . 0.0 113.136 177.281 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -56.03 -57.87 10.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.48 1.512 . . . . 0.0 109.426 178.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.2 p -69.71 -17.16 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.243 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 63.7 145.81 0.08 OUTLIER Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 130.324 3.449 . . . . 0.0 110.494 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.82 59.45 3.48 Favored 'Trans proline' 0 CA--C 1.548 1.203 0 C-N-CA 121.975 1.783 . . . . 0.0 110.799 167.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -21.57 63.01 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.914 1.285 . . . . 0.0 111.118 170.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -82.24 157.64 23.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.452 1.501 . . . . 0.0 112.249 177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 O-C-N 119.664 -1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 116.849 -1.548 . . . . 0.0 113.742 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 1' ' ' ALA . 55.8 Cg_endo -77.55 -5.99 15.9 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 122.933 2.422 . . . . 0.0 113.816 176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.0 150.64 42.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.905 1.282 . . . . 0.0 109.745 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 69.57 82.36 0.18 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.707 1.603 . . . . 0.0 112.103 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -71.64 107.79 2.26 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 123.219 2.613 . . . . 0.0 111.512 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.45 122.8 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 124.842 1.257 . . . . 0.0 109.672 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.9 153.5 43.74 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 123.606 0.762 . . . . 0.0 110.652 -178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.04 61.45 5.71 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.193 3.262 . . . . 0.0 110.523 174.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.25 -103.09 0.17 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.988 2.709 . . . . 0.0 108.314 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 58.06 162.67 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.526 1.53 . . . . 0.0 111.983 -163.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.8 t30 47.01 85.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.09 158.37 43.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.405 1.082 . . . . 0.0 108.787 175.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t 52.81 140.76 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 128.582 2.753 . . . . 0.0 115.668 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -65.64 -21.76 58.76 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 O-C-N 118.936 -1.139 . . . . 0.0 111.639 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -76.61 -12.84 60.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.047 0.939 . . . . 0.0 113.126 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -103.15 -37.97 7.49 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.594 0.758 . . . . 0.0 110.336 171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 mmm -67.63 -43.71 79.72 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.004 0.922 . . . . 0.0 111.45 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 -26.57 68.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.216 0.462 . . . . 0.0 112.17 174.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -45.6 18.69 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 122.785 0.434 . . . . 0.0 112.116 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -54.93 -49.02 72.36 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.785 1.634 . . . . 0.0 110.88 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.14 -44.98 94.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.315 0.646 . . . . 0.0 111.879 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -59.83 -40.8 89.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.817 -0.552 . . . . 0.0 111.181 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.12 84.63 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.667 172.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.64 -52.61 64.94 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.514 1.052 . . . . 0.0 110.883 173.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -55.72 -45.93 77.83 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.131 0.423 . . . . 0.0 111.182 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -64.65 -48.28 75.37 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.323 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 36.0 t80 -55.35 -43.5 75.08 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 126.02 1.728 . . . . 0.0 111.036 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.32 -33.19 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 121.109 -0.994 . . . . 0.0 111.319 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.06 -55.88 10.93 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.593 1.157 . . . . 0.0 111.504 174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -64.72 -31.49 72.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.218 1.407 . . . . 0.0 113.03 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.64 -21.78 66.81 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.62 1.1 . . . . 0.0 113.006 170.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -111.04 22.87 14.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.046 1.739 . . . . 0.0 110.217 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -53.58 157.24 3.83 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.354 1.062 . . . . 0.0 112.18 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -75.71 63.24 6.56 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 122.795 2.33 . . . . 0.0 111.233 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -24.94 39.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.395 1.078 . . . . 0.0 112.548 169.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -95.87 168.48 10.62 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.164 1.386 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 119.384 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.69 105.47 2.01 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.404 2.736 . . . . 0.0 110.384 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.87 103.8 4.4 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.458 1.503 . . . . 0.0 107.142 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.22 101.9 0.26 Allowed Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.185 1.394 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -76.6 5.14 4.98 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.188 1.926 . . . . 0.0 112.74 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.6 m 46.08 -144.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 128.802 2.841 . . . . 0.0 109.894 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.9 t80 54.91 76.59 0.5 Allowed Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.517 1.127 . . . . 0.0 113.679 165.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.79 157.62 61.13 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.543 2.162 . . . . 0.0 112.012 -175.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.0 65.7 1.28 Allowed Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.356 0.979 . . . . 0.0 112.1 -175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -67.05 129.74 40.86 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.492 0.646 . . . . 0.0 110.46 172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 156.35 -26.12 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.945 2.898 . . . . 0.0 111.999 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.0 -164.74 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.888 1.275 . . . . 0.0 112.331 -172.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 16' ' ' GLN . 4.1 t -69.89 139.84 88.44 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 121.316 -0.865 . . . . 0.0 111.73 172.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -69.08 161.4 45.99 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.711 2.274 . . . . 0.0 110.805 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 60.47 -6.69 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.186 1.794 . . . . 0.0 114.217 -173.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.556 ' HB3' HG23 ' A' ' 13' ' ' THR . 0.2 OUTLIER -98.8 -38.88 8.88 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.062 1.345 . . . . 0.0 111.492 176.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.9 mmm -68.71 -43.79 75.25 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.574 0.749 . . . . 0.0 111.465 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.66 68.21 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 174.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -79.17 -46.86 17.08 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 112.231 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.99 -48.92 61.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.067 1.347 . . . . 0.0 111.647 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.09 -43.52 82.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.211 0.604 . . . . 0.0 112.577 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.8 t -63.12 -42.36 99.51 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.724 0.81 . . . . 0.0 111.483 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.43 87.14 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 124.927 1.291 . . . . 0.0 110.645 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.1 -46.79 75.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.411 1.005 . . . . 0.0 111.51 174.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -57.22 -52.34 65.71 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.675 0.67 . . . . 0.0 111.927 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -42.04 99.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.331 0.652 . . . . 0.0 111.658 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 31' ' ' LEU . 39.7 t80 -61.43 -52.39 64.78 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 126.415 1.886 . . . . 0.0 111.939 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.33 -51.78 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.732 0.813 . . . . 0.0 109.462 174.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -53.4 -49.22 67.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.847 0.749 . . . . 0.0 111.563 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.36 -40.47 94.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.426 1.09 . . . . 0.0 113.065 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 27' ' ' TYR . 31.5 mt -65.69 -33.78 76.67 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 125.885 1.674 . . . . 0.0 112.547 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.5 p -78.66 -25.08 44.87 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.641 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 60.99 143.43 0.06 OUTLIER Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 129.496 3.118 . . . . 0.0 111.614 -172.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.09 55.25 2.87 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.673 2.249 . . . . 0.0 111.24 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -67.77 -23.18 65.2 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.312 1.445 . . . . 0.0 111.658 173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.35 166.3 31.42 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 125.513 1.525 . . . . 0.0 110.831 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.603 -1.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 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