data_2n9e_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 2n9e _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.615 3.48 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 HG13 HG12 ' B' ' 30' ' ' VAL . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 . . . . . 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.4 HG12 HG13 ' A' ' 41' ' ' ILE . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.553 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HG3' ' B' ' 78' ' ' MET . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . 0.553 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' B' ' 73' ' ' PRO . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 121.622 0.725 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.413 ' CD1' HG12 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.441 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' CG ' ' B' ' 32' ' ' PHE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.488 ' CD1' ' HE1' ' B' ' 78' ' ' MET . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.488 ' HE1' ' CD1' ' B' ' 62' ' ' PHE . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 40' ' ' PHE . 34.1 t70 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 . . . . . 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 36' ' ' ARG . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.44 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--O 1.274 2.393 0 CA-C-O 123.704 1.716 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 . . . . . 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.451 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 CA--C 1.498 -1.052 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--O 1.241 0.607 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 . . . . . 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 . . . . . 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' MET . . . . . 0.449 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.449 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.428 3.2 t0 . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt . . . . . 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 2 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 122.439 1.114 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.462 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . 0.432 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.462 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.579 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 40' ' ' PHE 0.269 30.3 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 123.633 1.683 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' H ' ' C ' ' A' ' 38' ' ' ASP . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 . . . . . 0 CA--C 1.611 3.327 0 CA-C-O 124.926 2.298 . . . . 0.0 107.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' B' ' 86' ' ' VAL . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 60' ' ' PHE . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 . . . . . 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.569 1.695 0 CA-C-O 115.085 -2.388 . . . . 0.0 116.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt . . . . . 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 CA--C 1.579 2.086 0 CA-C-O 123.715 1.721 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 . . . . . 0 CA--C 1.578 2.04 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' THR . . . . . 0.486 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . 0.486 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 . . . . . 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 . . . . . 0 C--O 1.252 1.226 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' B' ' 55' ' ' MET . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' MET . . . . . 0.421 ' HA ' ' SG ' ' B' ' 48' ' ' CYS . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 . . . . . 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 . . . . . 0 C--O 1.16 -3.607 0 N-CA-C 116.65 2.092 . . . . 0.0 116.65 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.446 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 . . . . . 0 CA--C 1.573 1.861 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.391 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.4 ' CD2' HG21 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.4 HG21 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 . . . . . 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 . . . . . 0 C--O 1.269 2.13 0 CA-C-O 121.522 0.677 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.525 3.319 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' CD1' ' B' ' 32' ' ' PHE . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt . . . . . 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.606 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 . . . . . 1 N--CA 1.549 4.477 0 CA-C-O 121.573 0.701 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.606 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 CA--C 1.562 1.425 0 CA-C-O 121.346 0.594 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.5 mm100 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 124.364 2.031 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.203 -1.365 0 CA-C-O 123.531 1.634 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 . . . . . 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.393 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -55.26 -42.2 73.22 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-O 124.43 2.062 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.49 25.65 4.35 Favored 'General case' 0 CA--C 1.615 3.48 1 O-C-N 116.247 -4.033 . . . . 0.0 113.686 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 HG13 HG12 ' B' ' 30' ' ' VAL . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt -134.91 130.06 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -143.84 55.51 1.32 Allowed 'General case' 0 N--CA 1.523 3.182 0 O-C-N 126.289 2.243 . . . . 0.0 115.463 -168.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -138.15 145.36 41.46 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 129.657 3.183 . . . . 0.0 116.709 -174.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.21 145.67 7.66 Favored Glycine 0 C--O 1.197 -2.166 0 C-N-CA 117.683 -2.199 . . . . 0.0 114.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.68 -23.83 64.44 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-O 117.081 -1.438 . . . . 0.0 113.125 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 120.751 1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtt . . . . . 0 C--O 1.253 1.279 0 CA-C-O 125.877 2.751 . . . . 0.0 106.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.04 135.11 38.63 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 110.104 -3.226 . . . . 0.0 112.519 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -92.82 28.84 1.94 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 125.119 2.39 . . . . 0.0 112.8 -173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.09 142.61 57.06 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 117.461 -3.274 . . . . 0.0 115.397 -173.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -151.05 128.0 5.41 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 129.204 3.002 . . . . 0.0 111.045 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.72 145.86 69.03 Favored 'Trans proline' 0 N--CA 1.52 3.083 0 N-CA-C 115.443 1.286 . . . . 0.0 115.443 162.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -110.18 137.19 48.25 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 127.257 2.223 . . . . 0.0 111.427 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.89 140.37 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 118.416 -1.314 . . . . 0.0 113.728 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.49 22.26 0.68 Allowed Glycine 0 CA--C 1.564 3.152 0 O-C-N 119.53 -1.981 . . . . 0.0 116.698 -171.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -107.81 142.54 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.106 0 C-N-CA 128.047 2.539 . . . . 0.0 112.341 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -136.43 85.08 2.12 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 119.414 -2.054 . . . . 0.0 110.309 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -70.98 -24.15 62.34 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-O 115.299 -2.286 . . . . 0.0 114.651 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -89.17 16.65 6.91 Favored 'General case' 0 CA--C 1.585 2.289 0 CA-C-N 122.256 2.298 . . . . 0.0 110.842 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.75 156.62 34.93 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 159.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.71 165.78 24.15 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 126.326 1.85 . . . . 0.0 109.441 167.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.08 135.84 39.88 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -104.51 146.32 29.04 Favored 'General case' 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 166.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.4 HG12 HG13 ' A' ' 41' ' ' ILE . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.553 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HG3' ' B' ' 78' ' ' MET . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . 0.553 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' B' ' 73' ' ' PRO . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -144.66 156.64 44.2 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -147.03 51.59 1.09 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 36.6 p -79.2 168.97 18.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 124.353 2.025 . . . . 0.0 110.647 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.23 32.93 Favored Glycine 0 CA--C 1.564 3.113 0 CA-C-N 114.155 -1.384 . . . . 0.0 114.076 -175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.21 173.6 7.8 Favored Glycine 0 N--CA 1.493 2.488 0 CA-C-O 119.696 -0.502 . . . . 0.0 113.655 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.26 124.9 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 127.809 2.444 . . . . 0.0 114.563 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--O 1.27 2.141 0 C-N-CA 126.669 1.988 . . . . 0.0 109.378 173.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.38 -23.0 26.32 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 127.699 2.4 . . . . 0.0 112.829 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.24 17.16 0.28 Allowed 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 126.991 2.117 . . . . 0.0 112.885 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.413 ' CD1' HG12 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.13 144.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.267 3.1 t70 -136.4 -25.28 1.18 Allowed 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 121.043 3.719 . . . . 0.0 121.043 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -142.98 172.65 12.42 Favored 'General case' 0 C--O 1.269 2.123 0 C-N-CA 125.182 1.393 . . . . 0.0 112.612 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.23 166.33 37.01 Favored Glycine 0 C--N 1.394 3.778 0 O-C-N 117.863 -3.023 . . . . 0.0 118.409 -166.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -152.53 -44.57 0.1 Allowed 'General case' 0 CA--C 1.603 3.012 0 C-N-CA 125.946 1.698 . . . . 0.0 108.985 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.146 0 O-C-N 118.428 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.16 159.29 18.25 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.24 -167.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.296 1.5 t0 -141.29 12.22 2.16 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 -169.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -80.18 116.77 20.46 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 116.988 -3.57 . . . . 0.0 108.592 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -134.87 130.54 19.63 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 126.955 2.659 . . . . 0.0 108.191 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -68.87 161.45 45.58 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-O 123.227 1.261 . . . . 0.0 110.32 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -118.23 163.61 16.41 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -76.93 129.64 36.44 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 128.824 2.85 . . . . 0.0 110.68 168.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.96 46.78 2.45 Favored Glycine 0 C--O 1.217 -0.93 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.5 t -140.72 137.15 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.098 0 O-C-N 121.067 -1.255 . . . . 0.0 113.933 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.7 80.8 1.16 Allowed 'General case' 0 CA--C 1.468 -2.204 0 O-C-N 120.106 -1.621 . . . . 0.0 107.796 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -89.46 8.24 31.94 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.87 -9.72 16.71 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 153.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -75.2 148.1 39.83 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.052 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -154.76 154.92 33.59 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 126.802 2.564 . . . . 0.0 114.995 159.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.72 163.3 25.99 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 122.133 2.242 . . . . 0.0 111.369 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -137.09 151.4 48.84 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.443 1.097 . . . . 0.0 112.894 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.441 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' CG ' ' B' ' 32' ' ' PHE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.488 ' CD1' ' HE1' ' B' ' 78' ' ' MET . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.488 ' HE1' ' CD1' ' B' ' 62' ' ' PHE . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -137.56 161.38 36.59 Favored 'General case' 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.23 33.5 0.65 Allowed 'General case' 0 N--CA 1.508 2.438 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . 0.277 56.4 p -66.47 145.47 55.62 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 118.253 -2.779 . . . . 0.0 113.295 -163.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.62 -150.08 32.54 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 118.633 -2.542 . . . . 0.0 112.34 -165.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.68 -174.69 42.09 Favored Glycine 0 N--CA 1.484 1.893 0 O-C-N 127.097 2.292 . . . . 0.0 115.763 -175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -138.48 140.7 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 128.019 2.527 . . . . 0.0 108.183 163.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.27 0 O-C-N 125.312 1.633 . . . . 0.0 111.851 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.47 -24.75 61.23 Favored 'General case' 0 N--CA 1.513 2.695 0 C-N-CA 126.967 2.107 . . . . 0.0 115.432 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 40' ' ' PHE . 34.1 t70 -148.08 61.29 1.12 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 -170.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.26 149.85 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.0 32.26 5.13 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -141.05 163.6 32.54 Favored 'General case' 0 N--CA 1.518 2.936 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 -179.74 48.79 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 117.616 -2.231 . . . . 0.0 113.517 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -146.5 -66.45 0.28 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 127.883 2.473 . . . . 0.0 115.353 -157.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.458 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.193 -1.919 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.17 169.63 0.8 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 129.462 3.105 . . . . 0.0 110.804 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.96 -21.7 63.23 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 126.01 2.069 . . . . 0.0 114.731 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -53.16 142.15 21.31 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -168.21 143.55 3.01 Favored Pre-proline 0 N--CA 1.479 1.008 0 O-C-N 118.554 -2.592 . . . . 0.0 111.108 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -62.54 147.91 94.11 Favored 'Trans proline' 0 N--CA 1.509 2.438 0 C-N-CA 120.764 0.976 . . . . 0.0 112.101 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.79 136.0 14.84 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 124.522 2.106 . . . . 0.0 109.703 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -69.4 141.89 54.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.938 -1.937 . . . . 0.0 114.139 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.34 -11.1 82.66 Favored Glycine 0 CA--C 1.472 -2.656 0 N-CA-C 121.181 3.232 . . . . 0.0 121.181 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 73.6 t -73.92 139.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 CA-C-N 119.86 1.83 . . . . 0.0 111.327 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.03 101.64 3.86 Favored 'General case' 1 N--CA 1.553 4.684 0 N-CA-C 101.345 -3.576 . . . . 0.0 101.345 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -61.95 -16.6 52.34 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 160.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.84 5.74 1.83 Allowed 'General case' 1 N--CA 1.54 4.045 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 165.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -98.29 135.96 39.15 Favored 'General case' 0 N--CA 1.411 -2.392 0 O-C-N 120.528 -1.358 . . . . 0.0 111.592 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.28 125.75 5.65 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 127.612 2.365 . . . . 0.0 108.916 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -70.76 118.03 13.03 Favored 'General case' 0 CA--C 1.597 2.779 0 CA-C-O 126.585 3.088 . . . . 0.0 114.349 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -68.73 148.53 50.23 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 128.714 2.806 . . . . 0.0 117.844 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -93.92 156.71 16.48 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -131.9 50.85 2.2 Favored 'General case' 0 C--O 1.284 2.897 0 C-N-CA 128.047 2.539 . . . . 0.0 115.819 177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 56.5 p -76.56 157.75 31.75 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-O 124.541 2.115 . . . . 0.0 113.614 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.72 -146.98 23.68 Favored Glycine 1 N--CA 1.53 4.926 0 CA-C-O 117.835 -1.536 . . . . 0.0 109.92 -172.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.66 147.82 20.54 Favored Glycine 0 C--N 1.375 2.724 0 CA-C-N 119.845 1.822 . . . . 0.0 112.062 170.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 90.3 t -85.06 113.63 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 113.32 -3.229 . . . . 0.0 112.871 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.379 1.865 0 O-C-N 129.1 4.0 . . . . 0.0 109.447 177.628 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.506 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -75.86 -27.7 57.88 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.211 3.004 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.44 43.22 2.48 Favored 'General case' 0 C--N 1.274 -2.69 0 O-C-N 119.142 -2.224 . . . . 0.0 111.785 -172.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HB ' ' CE1' ' B' ' 32' ' ' PHE . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt -58.72 142.77 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -139.95 -5.3 1.32 Allowed 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 116.357 -3.965 . . . . 0.0 120.69 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.69 173.56 9.51 Favored 'General case' 0 C--O 1.194 -1.837 1 C-N-CA 133.583 4.753 . . . . 0.0 114.223 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 178.97 48.83 Favored Glycine 0 C--O 1.262 1.868 0 C-N-CA 126.808 2.147 . . . . 0.0 114.51 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -121.46 -25.82 5.09 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 119.117 -2.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.061 1.41 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.9 138.08 57.52 Favored 'General case' 1 N--CA 1.545 4.322 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -169.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -72.6 7.79 1.73 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 113.785 -1.552 . . . . 0.0 114.033 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -46.13 113.92 0.7 Allowed 'General case' 0 C--O 1.219 -0.528 1 C-N-CA 131.734 4.013 . . . . 0.0 115.519 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -139.57 144.9 41.31 Favored Pre-proline 0 N--CA 1.487 1.395 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.969 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -73.31 155.25 51.39 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.13 3.22 . . . . 0.0 111.809 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -141.73 128.22 20.11 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.19 151.0 47.92 Favored 'General case' 0 CA--C 1.616 3.508 0 O-C-N 119.081 -2.262 . . . . 0.0 112.933 -164.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.64 0.22 82.26 Favored Glycine 0 CA--C 1.459 -3.468 0 CA-C-O 125.475 2.708 . . . . 0.0 119.43 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 t -131.04 139.69 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 117.58 -3.306 . . . . 0.0 108.93 -173.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -145.18 139.66 27.39 Favored 'General case' 0 N--CA 1.417 -2.102 0 O-C-N 125.618 1.824 . . . . 0.0 110.25 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 p -59.85 -22.73 62.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 115.217 -2.593 . . . . 0.0 110.956 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -74.4 -13.09 60.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 115.362 -2.256 . . . . 0.0 109.112 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -69.27 -4.72 19.06 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 121.394 1.906 . . . . 0.0 115.208 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -69.22 132.73 46.96 Favored 'General case' 0 CA--C 1.582 2.189 1 O-C-N 114.637 -5.039 . . . . 0.0 111.563 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.56 128.58 36.76 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 129.524 3.13 . . . . 0.0 117.748 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -80.98 174.63 11.43 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.495 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 36' ' ' ARG . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.44 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -115.66 88.34 2.86 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -82.46 49.64 1.49 Allowed 'General case' 0 C--N 1.366 1.311 0 O-C-N 119.65 -1.906 . . . . 0.0 114.459 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.7 p -53.14 153.33 3.71 Favored 'General case' 0 C--O 1.172 -2.98 0 O-C-N 119.891 -1.756 . . . . 0.0 113.244 -173.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.34 -168.39 42.13 Favored Glycine 0 CA--C 1.562 3.025 0 CA-C-O 122.677 1.154 . . . . 0.0 113.532 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.15 174.36 44.23 Favored Glycine 0 CA--C 1.572 3.627 0 C-N-CA 125.938 1.732 . . . . 0.0 117.197 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.33 69.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 127.111 2.164 . . . . 0.0 112.873 160.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 CA-C-N 112.74 -2.027 . . . . 0.0 113.621 -164.635 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -102.67 -43.11 5.69 Favored 'General case' 0 CA--C 1.492 -1.271 0 C-N-CA 125.91 1.684 . . . . 0.0 114.553 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.15 34.99 0.42 Allowed 'General case' 0 C--O 1.274 2.393 0 O-C-N 127.871 3.232 . . . . 0.0 113.643 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt -127.24 157.05 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.541 ' HA ' ' HE3' ' B' ' 42' ' ' LYS . 18.1 t0 -102.46 -28.29 12.29 Favored 'General case' 0 CA--C 1.61 3.252 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.494 -163.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.47 136.14 15.23 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.04 159.79 13.9 Favored Glycine 0 CA--C 1.569 3.419 0 O-C-N 118.588 -2.57 . . . . 0.0 115.36 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -114.6 130.13 56.75 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 127.364 2.266 . . . . 0.0 111.772 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.547 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 123.67 1.7 . . . . 0.0 108.679 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 147.2 37.19 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 118.286 -2.759 . . . . 0.0 112.824 -164.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -63.54 113.82 3.54 Favored 'General case' 0 CA--C 1.486 -1.502 0 C-N-CA 126.767 2.027 . . . . 0.0 114.699 -169.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.94 143.1 3.72 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -160.08 146.07 11.74 Favored Pre-proline 0 N--CA 1.522 3.173 0 O-C-N 116.939 -3.6 . . . . 0.0 111.445 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -60.99 168.97 6.51 Favored 'Trans proline' 0 N--CA 1.423 -2.672 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -130.75 147.58 52.43 Favored 'General case' 0 CA--C 1.623 3.781 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -95.8 126.77 41.29 Favored 'General case' 0 CA--C 1.602 2.967 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 156.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.65 -42.76 8.84 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 125.124 1.515 . . . . 0.0 112.24 -168.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.51 142.13 12.32 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.276 75.7 tttt -161.58 145.64 12.87 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 116.025 -2.27 . . . . 0.0 110.292 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -49.26 -23.57 1.43 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 129.393 3.077 . . . . 0.0 111.329 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -95.72 8.08 44.49 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -80.89 1.42 30.94 Favored 'General case' 0 C--O 1.261 1.686 0 C-N-CA 128.618 2.767 . . . . 0.0 113.101 168.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.258 64.5 t-20 -74.05 146.67 43.5 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 115.743 -4.348 . . . . 0.0 109.483 -166.475 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -109.86 132.46 54.13 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 121.505 1.957 . . . . 0.0 110.054 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.14 151.0 45.93 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 45' ' ' ASP . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.451 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -138.66 118.89 13.57 Favored 'General case' 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -94.5 52.47 1.55 Allowed 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.533 1.133 . . . . 0.0 108.134 -159.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 14.0 p -64.68 144.84 56.95 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 130.09 3.356 . . . . 0.0 107.354 163.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.84 -175.18 41.82 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 118.166 2.027 . . . . 0.0 118.166 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.7 -162.0 31.33 Favored Glycine 0 CA--C 1.577 3.924 0 CA-C-N 110.335 -2.933 . . . . 0.0 112.692 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.4 t -97.99 86.14 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.118 0 C-N-CA 126.42 1.888 . . . . 0.0 112.876 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.373 1.619 1 O-C-N 116.016 -4.177 . . . . 0.0 111.359 -159.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.07 -36.56 77.62 Favored 'General case' 0 C--O 1.194 -1.831 0 C-N-CA 125.02 1.328 . . . . 0.0 113.069 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -84.94 44.49 1.08 Allowed 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 126.994 2.683 . . . . 0.0 110.493 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.6 137.26 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.77 -55.39 5.03 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 117.95 -2.969 . . . . 0.0 112.081 -168.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -169.53 151.65 4.48 Favored 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 111.502 -2.59 . . . . 0.0 107.42 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.2 -166.67 30.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 117.245 1.658 . . . . 0.0 117.245 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -39.35 95.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 130.525 3.53 . . . . 0.0 115.344 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.513 2.709 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.73 158.17 0.33 Allowed 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 127.307 2.243 . . . . 0.0 114.056 153.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.35 151.49 36.63 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 128.074 2.55 . . . . 0.0 109.702 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -153.02 124.62 7.73 Favored 'General case' 0 C--O 1.25 1.106 0 C-N-CA 126.944 2.098 . . . . 0.0 113.734 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -146.99 116.56 4.46 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 128.328 2.651 . . . . 0.0 117.805 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.58 161.36 44.26 Favored 'Trans proline' 0 CA--C 1.594 3.507 1 C-N-CA 125.851 4.367 . . . . 0.0 113.482 173.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.255 80.1 tttt -75.68 136.32 40.4 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.25 149.5 42.74 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.578 3.151 . . . . 0.0 118.982 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.47 -52.05 28.25 Favored Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 127.569 2.509 . . . . 0.0 109.044 -153.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -141.34 122.75 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 131.448 3.899 . . . . 0.0 113.918 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -76.17 144.51 40.48 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 125.734 1.614 . . . . 0.0 112.099 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -46.99 -24.63 0.64 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.52 -6.07 55.21 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . 0.263 1.4 m120 -64.33 -26.94 68.7 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-O 114.233 -2.794 . . . . 0.0 112.047 -168.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -65.74 80.51 0.07 Allowed 'General case' 0 CA--C 1.579 2.085 1 C-N-CA 136.396 5.878 . . . . 0.0 111.164 163.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.34 158.42 31.65 Favored 'General case' 0 CA--C 1.589 2.476 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -164.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -61.82 161.51 10.19 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 175.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.78 146.01 48.63 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -114.07 25.15 11.37 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 126.135 2.147 . . . . 0.0 113.486 -158.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.9 p -47.5 144.41 3.08 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.12 -156.91 18.57 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 126.977 2.227 . . . . 0.0 111.807 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.28 159.95 8.26 Favored Glycine 0 C--O 1.285 3.336 0 C-N-CA 127.31 2.386 . . . . 0.0 113.838 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.25 104.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 0 C-N-CA 125.207 1.403 . . . . 0.0 108.444 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 C--N 1.375 1.709 0 O-C-N 127.891 3.244 . . . . 0.0 114.898 -168.799 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -48.62 -4.69 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.4 1 O-C-N 132.252 5.97 . . . . 0.0 113.958 . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -87.44 43.37 1.1 Allowed 'General case' 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 -168.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt -138.43 135.76 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -95.49 -53.58 3.69 Favored 'General case' 0 CA--C 1.576 1.945 0 CA-C-N 124.448 3.295 . . . . 0.0 111.861 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -160.32 139.93 11.06 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 129.581 3.152 . . . . 0.0 106.625 -168.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.92 -152.21 23.78 Favored Glycine 0 C--N 1.383 3.147 0 CA-C-N 111.566 -2.561 . . . . 0.0 117.151 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.7 134.77 36.02 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 120.271 2.036 . . . . 0.0 112.274 -173.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-N 116.411 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 100.305 -3.961 . . . . 0.0 100.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.74 163.19 20.36 Favored 'General case' 0 C--O 1.298 3.605 1 O-C-N 115.907 -4.246 . . . . 0.0 113.463 169.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -77.22 110.94 12.33 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 125.295 1.622 . . . . 0.0 115.225 -161.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -136.08 52.64 1.97 Allowed 'General case' 0 N--CA 1.416 -2.172 0 C-N-CA 128.514 2.725 . . . . 0.0 108.683 171.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.77 138.34 70.68 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-O 114.21 -2.805 . . . . 0.0 110.538 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -56.81 137.43 81.42 Favored 'Trans proline' 0 C--O 1.192 -1.803 0 C-N-CA 124.784 3.656 . . . . 0.0 114.933 163.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -67.23 150.37 49.17 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 113.164 -3.303 . . . . 0.0 110.919 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.48 141.62 51.98 Favored 'General case' 0 CA--C 1.625 3.836 0 O-C-N 126.034 2.084 . . . . 0.0 112.776 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.15 -63.33 1.67 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.78 -1.676 . . . . 0.0 112.783 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.51 141.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.382 1.998 0 CA-C-O 116.791 -1.575 . . . . 0.0 110.251 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.536 ' HG2' ' H ' ' B' ' 12' ' ' THR . 72.6 tttt -146.93 -156.6 0.73 Allowed 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -165.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.536 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 41.2 p -117.51 6.62 12.56 Favored 'General case' 0 N--CA 1.516 2.834 1 O-C-N 114.17 -5.331 . . . . 0.0 115.584 172.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -110.51 24.08 13.43 Favored 'General case' 1 N--CA 1.546 4.33 1 O-C-N 116.176 -4.078 . . . . 0.0 114.948 -172.955 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -96.0 6.15 49.52 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -166.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.0 141.67 42.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.67 -1.894 . . . . 0.0 107.971 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.277 17.6 m-20 -109.09 122.96 48.39 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 128.309 2.643 . . . . 0.0 114.779 175.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -67.98 138.28 55.79 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 123.818 3.008 . . . . 0.0 115.206 -163.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.85 148.28 51.71 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.14 122.99 23.64 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 118.523 -2.61 . . . . 0.0 114.632 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -131.82 131.45 42.88 Favored 'General case' 0 CA--C 1.462 -2.418 0 O-C-N 119.372 -2.08 . . . . 0.0 106.136 -159.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.4 -162.86 9.88 Favored Glycine 0 CA--C 1.56 2.884 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.35 -164.9 36.17 Favored Glycine 0 C--N 1.376 2.752 0 O-C-N 119.517 -2.166 . . . . 0.0 109.691 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.56 133.53 29.28 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.567 0 O-C-N 125.961 1.624 . . . . 0.0 108.691 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.408 -2.548 0 C-N-CA 129.977 3.311 . . . . 0.0 103.973 -168.619 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.26 -19.95 24.82 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 116.453 -1.737 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -73.19 17.41 0.13 Allowed 'General case' 0 C--N 1.318 -0.766 1 C-N-CA 132.169 4.187 . . . . 0.0 111.579 -178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -127.89 129.48 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.364 24.6 t0 -105.25 -11.2 16.63 Favored 'General case' 0 N--CA 1.523 3.197 0 C-N-CA 124.673 1.189 . . . . 0.0 110.936 -167.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -146.88 126.79 13.57 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.62 -155.07 25.71 Favored Glycine 0 N--CA 1.508 3.452 1 O-C-N 116.251 -4.031 . . . . 0.0 113.087 -148.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.318 13.9 tp10 -83.19 156.8 23.01 Favored 'General case' 0 C--O 1.172 -2.982 1 CA-C-N 125.812 4.806 . . . . 0.0 110.858 171.37 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 1 O-C-N 114.848 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmt . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 126.366 2.984 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.0 165.97 19.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 111.4 -2.637 . . . . 0.0 112.159 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -84.11 134.39 34.59 Favored 'General case' 0 CA--C 1.461 -2.473 0 C-N-CA 124.29 1.036 . . . . 0.0 113.253 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -147.54 129.65 15.5 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 123.727 1.727 . . . . 0.0 109.126 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.306 44.2 tttm -125.51 115.75 25.12 Favored Pre-proline 0 N--CA 1.493 1.707 0 CA-C-N 111.565 -2.561 . . . . 0.0 116.638 162.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.24 155.63 55.57 Favored 'Trans proline' 0 CA--C 1.501 -1.148 0 O-C-N 125.141 2.127 . . . . 0.0 111.992 164.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -44.37 142.36 1.58 Allowed 'General case' 0 N--CA 1.523 3.217 0 O-C-N 118.861 -2.4 . . . . 0.0 111.765 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.6 127.3 31.36 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 125.561 2.601 . . . . 0.0 112.503 164.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.92 -28.58 8.18 Favored Glycine 0 N--CA 1.479 1.555 0 CA-C-O 115.022 -3.099 . . . . 0.0 113.478 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.81 126.61 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 122.733 3.267 . . . . 0.0 111.094 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.303 74.3 tttt -153.25 151.68 30.32 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 124.297 0.998 . . . . 0.0 109.727 166.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -42.12 -40.78 2.43 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 165.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.22 -8.82 56.89 Favored 'General case' 0 CA--C 1.612 3.341 0 O-C-N 119.11 -2.244 . . . . 0.0 115.972 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.33 1.49 11.44 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-N 120.806 1.639 . . . . 0.0 110.805 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -77.5 135.02 38.19 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 112.96 -1.927 . . . . 0.0 114.4 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.281 33.4 m-20 -72.05 133.14 45.1 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -73.76 150.97 40.78 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 161.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' MET . . . . . 0.449 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.449 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -133.52 147.58 51.62 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.64 151.41 51.03 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.004 -2.31 . . . . 0.0 106.761 171.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 135.33 54.03 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.659 -2.519 . . . . 0.0 109.951 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 45.28 -132.04 8.66 Favored Glycine 0 CA--C 1.577 3.919 0 C-N-CA 126.819 2.152 . . . . 0.0 115.19 -163.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.43 -164.12 35.74 Favored Glycine 0 C--N 1.389 3.497 0 CA-C-O 127.098 3.61 . . . . 0.0 108.821 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 78.4 t -107.46 87.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 118.413 -2.816 . . . . 0.0 108.77 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.272 2.247 0 C-N-CA 126.694 1.998 . . . . 0.0 115.528 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.8 -26.38 25.8 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 119.094 -2.254 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.428 3.2 t0 -69.78 0.43 5.69 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 161.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt -147.97 148.74 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -154.53 61.61 0.68 Allowed 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 125.099 2.38 . . . . 0.0 107.08 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -150.81 165.43 33.57 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 129.9 3.28 . . . . 0.0 112.948 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.49 151.02 23.97 Favored Glycine 0 C--N 1.294 -1.766 1 CA-C-O 127.824 4.013 . . . . 0.0 111.656 -158.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.65 147.66 37.38 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 118.253 -2.91 . . . . 0.0 106.165 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.26 149.03 48.96 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 112.258 -2.247 . . . . 0.0 110.753 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.07 115.13 16.59 Favored 'General case' 0 CA--C 1.608 3.188 0 CA-C-O 126.044 2.831 . . . . 0.0 106.383 159.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -141.16 134.7 29.97 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 116.54 -3.85 . . . . 0.0 111.252 -166.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -155.66 104.33 2.16 Favored Pre-proline 0 C--N 1.281 -2.394 0 C-N-CA 129.376 3.07 . . . . 0.0 109.481 165.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -63.93 156.11 60.28 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 124.044 3.162 . . . . 0.0 116.701 -160.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -80.78 122.15 26.81 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 119.045 -2.284 . . . . 0.0 109.742 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -84.89 153.68 22.73 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 119.457 -2.027 . . . . 0.0 109.104 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.36 9.99 6.85 Favored Glycine 0 N--CA 1.512 3.707 0 CA-C-O 117.135 -1.925 . . . . 0.0 116.313 -169.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 94.7 t -131.83 113.62 22.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.645 2.378 . . . . 0.0 114.452 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HE3' ' CG ' ' B' ' 13' ' ' GLU . 24.6 tttp -156.99 137.05 12.64 Favored 'General case' 0 N--CA 1.517 2.906 1 C-N-CA 131.934 4.094 . . . . 0.0 113.229 177.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -67.79 -30.48 69.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.259 -2.15 . . . . 0.0 109.493 -166.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.41 ' CG ' ' HE3' ' B' ' 11' ' ' LYS . 17.9 mm-40 -72.19 -39.71 68.44 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.337 1.648 . . . . 0.0 110.225 -166.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -91.58 1.5 57.1 Favored 'General case' 0 CA--C 1.584 2.262 0 CA-C-O 125.362 2.506 . . . . 0.0 115.615 -170.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -65.22 151.61 45.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.489 3.115 . . . . 0.0 110.942 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -74.18 119.51 18.49 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 113.243 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -60.1 162.35 5.88 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 120.149 1.341 . . . . 0.0 110.498 164.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.462 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.432 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . 0.432 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.462 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -95.68 158.37 15.48 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . 0.29 10.3 mp0 -147.51 143.17 27.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.443 2.697 . . . . 0.0 114.197 166.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -148.1 147.72 29.84 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 168.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.09 139.73 10.86 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 127.458 2.456 . . . . 0.0 110.307 -172.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.13 -177.13 31.93 Favored Glycine 0 N--CA 1.418 -2.516 0 C-N-CA 127.583 2.516 . . . . 0.0 111.542 148.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.37 139.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 O-C-N 118.783 -2.599 . . . . 0.0 111.11 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 126.045 1.738 . . . . 0.0 112.614 172.389 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -53.91 -34.6 60.04 Favored 'General case' 0 C--N 1.295 -1.804 1 O-C-N 116.279 -4.013 . . . . 0.0 111.746 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -81.22 -7.6 59.6 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt -144.06 143.78 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' OD1' ' HE3' ' B' ' 42' ' ' LYS . 24.1 t0 -143.5 30.34 1.37 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 -165.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -125.57 126.87 45.48 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 129.585 3.154 . . . . 0.0 107.988 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.64 168.72 39.35 Favored Glycine 0 N--CA 1.504 3.178 0 CA-C-O 122.505 1.058 . . . . 0.0 112.435 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.344 6.1 tp10 -127.85 173.49 9.93 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 126.684 1.994 . . . . 0.0 108.601 142.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 114.413 -1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.1 156.32 25.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.116 -2.24 . . . . 0.0 112.072 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -54.26 33.26 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.063 3.745 . . . . 0.0 116.292 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.01 139.63 36.89 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 130.358 3.463 . . . . 0.0 108.856 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -148.18 145.95 22.03 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 174.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.95 136.74 20.91 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 CA-C-O 114.372 -2.428 . . . . 0.0 111.231 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -105.47 138.78 41.1 Favored 'General case' 0 C--N 1.279 -2.498 1 C-N-CA 135.258 5.423 . . . . 0.0 114.917 173.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.95 159.2 42.71 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.693 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.11 2.28 2.25 Favored Glycine 0 CA--C 1.492 -1.39 0 N-CA-C 120.108 2.803 . . . . 0.0 120.108 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 t -71.81 48.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.794 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -145.16 150.08 36.12 Favored 'General case' 0 C--N 1.403 2.935 0 C-N-CA 117.953 -1.499 . . . . 0.0 110.011 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -53.3 -51.01 63.69 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 125.268 2.461 . . . . 0.0 112.689 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.21 6.34 1.73 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.216 -1.811 . . . . 0.0 114.61 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -138.44 22.16 2.74 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 128.559 2.743 . . . . 0.0 112.88 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.87 153.11 21.31 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 117.113 -3.492 . . . . 0.0 110.206 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -71.95 127.69 33.36 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 111.253 -2.703 . . . . 0.0 110.422 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.579 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 -77.21 161.03 28.49 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 126.647 1.979 . . . . 0.0 116.29 152.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.579 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.447 ' HE3' ' OD1' ' A' ' 45' ' ' ASP . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -123.93 151.71 43.27 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -98.32 168.7 10.06 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 121.947 2.158 . . . . 0.0 114.035 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -97.1 -20.37 18.05 Favored 'General case' 1 C--O 1.151 -4.084 0 O-C-N 118.333 -2.729 . . . . 0.0 114.27 162.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.27 177.83 22.64 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 117.038 1.575 . . . . 0.0 117.038 157.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.17 -121.77 1.93 Allowed Glycine 0 C--O 1.211 -1.341 0 CA-C-N 119.825 1.812 . . . . 0.0 110.655 -165.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.53 140.12 17.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.536 0 CA-C-N 120.49 2.145 . . . . 0.0 113.04 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--N 1.392 2.431 0 O-C-N 124.868 1.355 . . . . 0.0 110.707 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . 0.327 12.5 tp10 -49.73 -34.8 19.97 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 125.562 1.788 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 40' ' ' PHE 0.269 30.3 t70 -110.5 15.48 22.1 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 128.254 2.622 . . . . 0.0 110.285 -174.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' H ' ' C ' ' A' ' 38' ' ' ASP . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.62 136.17 43.55 Favored 'Isoleucine or valine' 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . 0.441 ' O ' ' HE3' ' B' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -122.78 -38.83 2.58 Favored 'General case' 0 C--N 1.401 2.822 1 O-C-N 115.978 -4.201 . . . . 0.0 112.684 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -128.61 133.26 48.26 Favored 'General case' 0 CA--C 1.589 2.462 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.98 -162.4 30.06 Favored Glycine 0 C--N 1.359 1.814 0 O-C-N 126.615 2.447 . . . . 0.0 107.83 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -153.59 120.0 5.52 Favored 'General case' 0 C--O 1.256 1.442 1 CA-C-N 108.094 -4.053 . . . . 0.0 113.723 -168.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.604 0 CA-C-N 115.688 -0.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mmm . . . . . 0 N--CA 1.5 2.045 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.12 166.25 9.9 Favored 'General case' 0 N--CA 1.493 1.701 1 CA-C-O 129.092 4.282 . . . . 0.0 112.551 171.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.21 116.08 18.4 Favored 'General case' 0 CA--C 1.578 2.04 0 O-C-N 118.165 -2.834 . . . . 0.0 112.143 163.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -145.32 159.09 43.57 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 124.868 2.27 . . . . 0.0 111.159 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -141.26 144.89 36.12 Favored Pre-proline 0 C--O 1.209 -1.076 1 C-N-CA 134.506 5.122 . . . . 0.0 111.738 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.44 137.01 78.78 Favored 'Trans proline' 0 C--O 1.278 2.478 0 C-N-CA 122.633 2.222 . . . . 0.0 111.84 162.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -85.42 114.94 22.84 Favored 'General case' 0 CA--C 1.458 -2.581 0 C-N-CA 130.033 3.333 . . . . 0.0 110.957 -174.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -161.91 136.33 6.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 118.683 -2.51 . . . . 0.0 113.495 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.8 28.09 2.87 Favored Glycine 0 CA--C 1.563 3.056 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -78.76 61.67 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -153.3 145.98 24.26 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 114.786 -2.531 . . . . 0.0 111.513 -171.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -55.59 -31.28 62.09 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.719 2.408 . . . . 0.0 115.152 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.16 -15.14 62.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 128.411 2.685 . . . . 0.0 110.116 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -105.05 -10.04 17.44 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.348 -2.095 . . . . 0.0 113.374 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -66.87 153.99 42.06 Favored 'General case' 0 C--N 1.384 2.084 0 O-C-N 117.523 -3.236 . . . . 0.0 113.618 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.2 136.24 56.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -171.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -67.74 169.34 9.73 Favored 'General case' 0 CA--C 1.611 3.327 0 O-C-N 126.503 2.377 . . . . 0.0 107.913 156.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 44' ' ' SEP . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' B' ' 86' ' ' VAL . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 60' ' ' PHE . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -124.43 137.63 54.43 Favored 'General case' 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -94.16 158.53 15.56 Favored 'General case' 0 C--O 1.276 2.468 0 O-C-N 127.823 3.202 . . . . 0.0 107.983 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.3 p -98.8 19.18 15.34 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.713 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.1 -168.87 21.4 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-O 115.471 -2.85 . . . . 0.0 113.27 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.79 166.01 12.47 Favored Glycine 0 N--CA 1.417 -2.57 0 O-C-N 126.788 2.111 . . . . 0.0 110.935 -163.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.58 113.44 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 C-N-CA 124.798 1.239 . . . . 0.0 109.913 168.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.507 2.4 0 CA-C-O 114.885 -2.483 . . . . 0.0 111.996 -174.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -77.02 -42.87 36.84 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 124.192 0.933 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -136.57 68.08 1.44 Allowed 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.762 2.425 . . . . 0.0 116.134 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt -128.72 142.09 44.86 Favored 'Isoleucine or valine' 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.86 -7.22 56.38 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 118.001 -2.937 . . . . 0.0 113.536 -166.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -121.67 165.44 15.76 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 127.052 2.141 . . . . 0.0 112.293 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 -173.43 54.83 Favored Glycine 0 N--CA 1.418 -2.539 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -78.26 160.47 27.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.826 3.203 . . . . 0.0 112.125 175.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.347 1 O-C-N 115.043 -4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.18 157.09 35.13 Favored 'General case' 0 C--O 1.281 2.737 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.08 67.44 3.91 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 124.191 0.932 . . . . 0.0 111.413 159.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -138.2 113.21 9.19 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-O 124.103 1.906 . . . . 0.0 111.244 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.273 74.5 tttt -72.8 125.35 91.21 Favored Pre-proline 0 C--N 1.39 2.355 0 C-N-CA 128.376 2.67 . . . . 0.0 106.864 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -63.86 148.68 91.75 Favored 'Trans proline' 0 N--CA 1.415 -3.131 0 C-N-CA 121.981 1.787 . . . . 0.0 113.613 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -68.31 132.93 47.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.707 2.003 . . . . 0.0 108.832 -164.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.65 131.27 12.28 Favored 'General case' 0 N--CA 1.506 2.339 1 C-N-CA 134.418 5.087 . . . . 0.0 111.113 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.11 15.82 15.11 Favored Glycine 0 N--CA 1.41 -3.09 0 CA-C-N 120.945 1.702 . . . . 0.0 114.895 -161.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 t -79.94 77.59 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.937 0 CA-C-N 118.482 1.141 . . . . 0.0 111.135 -160.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.082 1.353 . . . . 0.0 110.757 166.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -73.44 -26.66 61.04 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 131.246 3.818 . . . . 0.0 116.923 172.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.53 -27.63 67.78 Favored 'General case' 0 CA--C 1.586 2.335 0 C-N-CA 123.616 0.766 . . . . 0.0 111.432 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -79.07 -4.9 52.49 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.652 2.093 . . . . 0.0 116.652 -172.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.01 134.74 53.53 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 118.688 -2.507 . . . . 0.0 108.517 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.58 137.96 57.72 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 118.754 -2.466 . . . . 0.0 113.08 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 -56.55 165.49 1.12 Allowed 'General case' 0 C--N 1.373 1.623 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 162.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -129.21 148.23 51.12 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -115.76 168.64 9.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 127.901 3.25 . . . . 0.0 108.925 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 40.9 p -70.85 -44.57 66.15 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 128.396 2.678 . . . . 0.0 109.998 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.59 -171.46 33.62 Favored Glycine 0 CA--C 1.554 2.501 0 CA-C-O 118.023 -1.431 . . . . 0.0 115.956 -169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.75 158.16 44.49 Favored Glycine 1 N--CA 1.524 4.557 0 CA-C-N 121.231 2.516 . . . . 0.0 113.281 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 119.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.768 0 O-C-N 120.997 -1.296 . . . . 0.0 110.905 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 . . . . . 0 C--O 1.197 -1.67 0 O-C-N 118.293 -2.755 . . . . 0.0 109.832 -164.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.891 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.99 -22.13 62.17 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.03 4.93 10.4 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 127.747 2.419 . . . . 0.0 112.666 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -134.69 135.15 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -94.58 4.8 53.4 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-N 118.505 0.593 . . . . 0.0 109.991 -171.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.86 160.17 18.29 Favored 'General case' 0 N--CA 1.403 -2.819 0 O-C-N 120.941 -1.1 . . . . 0.0 109.013 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -147.64 23.09 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 127.262 2.363 . . . . 0.0 111.25 172.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.77 125.95 23.48 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 127.484 2.314 . . . . 0.0 116.48 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.179 0 O-C-N 121.243 -0.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.0 mtp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.5 144.9 50.29 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 125.887 2.756 . . . . 0.0 112.547 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -96.45 50.99 1.16 Allowed 'General case' 0 C--O 1.168 -3.233 0 CA-C-O 124.186 1.946 . . . . 0.0 109.948 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.36 126.58 31.0 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-N 112.62 -2.082 . . . . 0.0 113.032 -166.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -68.0 135.35 91.83 Favored Pre-proline 0 CA--C 1.571 1.751 0 CA-C-O 116.008 -1.949 . . . . 0.0 110.746 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.47 129.25 19.75 Favored 'Trans proline' 0 N--CA 1.51 2.467 0 C-N-CA 123.635 2.89 . . . . 0.0 110.769 168.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.2 126.53 29.86 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 127.324 2.25 . . . . 0.0 114.307 171.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -132.29 157.09 45.31 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 126.968 2.668 . . . . 0.0 114.75 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.9 4.49 30.19 Favored Glycine 1 CA--C 1.447 -4.175 0 C-N-CA 129.745 3.545 . . . . 0.0 114.246 -171.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.57 55.66 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 120.073 1.936 . . . . 0.0 107.635 -169.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.57 121.53 18.83 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 129.331 3.053 . . . . 0.0 113.714 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -45.71 -27.82 0.89 Allowed 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.379 -2.075 . . . . 0.0 114.916 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.21 -5.94 2.72 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 124.084 3.129 . . . . 0.0 116.43 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.96 4.95 52.27 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 123.537 1.637 . . . . 0.0 113.616 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -77.12 144.07 38.72 Favored 'General case' 0 N--CA 1.524 3.269 0 CA-C-O 125.203 2.43 . . . . 0.0 107.152 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.08 134.79 42.96 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 119.078 -2.264 . . . . 0.0 108.18 -166.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.9 144.09 50.76 Favored 'General case' 0 CA--C 1.581 2.171 0 O-C-N 121.848 -0.532 . . . . 0.0 109.803 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -112.42 114.91 27.87 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.5 153.61 18.49 Favored 'General case' 0 C--O 1.197 -1.658 0 CA-C-N 111.954 -2.385 . . . . 0.0 109.326 -169.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 24.0 p -65.73 -18.1 65.09 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 173.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.44 -175.19 21.41 Favored Glycine 0 N--CA 1.506 3.334 0 O-C-N 117.647 -3.158 . . . . 0.0 111.946 -168.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.91 150.42 39.35 Favored Glycine 0 N--CA 1.413 -2.834 0 CA-C-O 126.242 3.135 . . . . 0.0 114.768 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.91 133.24 32.21 Favored 'Isoleucine or valine' 0 C--N 1.41 3.229 0 O-C-N 118.553 -2.734 . . . . 0.0 110.644 159.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 N--CA 1.537 3.883 0 C-N-CA 128.544 2.738 . . . . 0.0 111.419 -173.222 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -73.28 -9.94 59.23 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.64 17.56 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 173.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -146.46 137.91 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.5 -11.93 52.99 Favored 'General case' 0 C--O 1.18 -2.578 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -140.86 134.08 29.56 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 125.805 2.717 . . . . 0.0 110.32 -165.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.75 -123.91 29.75 Favored Glycine 0 N--CA 1.494 2.555 1 O-C-N 115.512 -4.493 . . . . 0.0 111.029 171.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.68 128.21 35.91 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.416 1.886 . . . . 0.0 112.211 174.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 O-C-N 119.585 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.418 -2.049 0 CA-C-O 114.29 -2.767 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.59 166.36 19.28 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 130.967 3.707 . . . . 0.0 118.394 -164.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -167.08 47.29 0.06 Allowed 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.988 2.328 . . . . 0.0 111.018 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.35 137.83 56.93 Favored 'General case' 0 N--CA 1.404 -2.756 1 O-C-N 115.443 -4.536 . . . . 0.0 109.217 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -72.4 120.48 80.74 Favored Pre-proline 0 N--CA 1.528 3.43 0 CA-C-O 116.308 -1.806 . . . . 0.0 106.406 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -78.4 144.06 20.01 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.568 2.178 . . . . 0.0 112.453 -171.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.74 127.42 28.21 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-N 113.327 -1.761 . . . . 0.0 114.187 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 149.83 24.74 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 150.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.89 -0.66 25.67 Favored Glycine 0 CA--C 1.455 -3.667 0 CA-C-N 112.843 -1.981 . . . . 0.0 115.58 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.11 128.81 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 161.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.259 60.7 tttt -165.28 154.0 12.0 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 125.743 1.617 . . . . 0.0 106.731 -171.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 p -67.31 -39.32 85.91 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -58.4 -32.92 69.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 113.919 -2.943 . . . . 0.0 113.038 173.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -76.41 11.65 1.51 Allowed 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.35 156.5 36.32 Favored 'General case' 0 N--CA 1.39 -3.473 0 CA-C-N 113.671 -1.604 . . . . 0.0 115.019 167.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.14 147.69 26.7 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 126.0 1.72 . . . . 0.0 108.688 -159.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 -85.14 158.73 20.31 Favored 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.062 2.145 . . . . 0.0 113.891 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' THR . . . . . 0.486 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . 0.486 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -81.13 147.07 30.23 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.38 160.67 26.29 Favored 'General case' 0 C--O 1.189 -2.099 0 O-C-N 120.426 -1.421 . . . . 0.0 110.568 162.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.4 p -103.52 -40.69 6.23 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 128.805 2.842 . . . . 0.0 110.548 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.76 144.74 11.0 Favored Glycine 1 N--CA 1.522 4.393 0 CA-C-O 123.89 1.828 . . . . 0.0 115.053 -174.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.24 126.41 40.14 Favored Glycine 0 N--CA 1.507 3.421 0 O-C-N 116.936 -3.684 . . . . 0.0 113.996 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 t -48.85 116.81 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.552 0 C-N-CA 128.265 2.626 . . . . 0.0 115.31 -172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.312 -1.048 0 O-C-N 128.368 3.543 . . . . 0.0 113.86 162.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -72.3 -21.77 61.29 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 127.755 3.159 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 -155.55 40.29 0.4 Allowed 'General case' 0 C--O 1.258 1.515 0 C-N-CA 126.636 1.974 . . . . 0.0 115.698 -170.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt -152.39 125.54 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -106.72 10.76 30.82 Favored 'General case' 0 CA--C 1.622 3.713 0 C-N-CA 116.847 -1.941 . . . . 0.0 115.258 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.28 144.37 57.0 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.108 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.74 162.83 33.79 Favored Glycine 0 N--CA 1.511 3.655 1 O-C-N 114.63 -5.043 . . . . 0.0 114.399 155.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -57.58 157.93 6.5 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.198 2.999 . . . . 0.0 111.19 160.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.884 0 CA-C-N 114.528 -1.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 CA--C 1.595 2.684 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.85 23.37 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -164.28 152.11 12.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.809 -1.807 . . . . 0.0 115.418 168.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.24 141.79 22.6 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 124.107 0.963 . . . . 0.0 109.821 -169.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -47.3 130.99 9.87 Favored Pre-proline 0 N--CA 1.508 2.47 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.52 141.71 56.52 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 C-N-CA 122.306 2.004 . . . . 0.0 110.412 -173.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.1 131.62 51.12 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 124.159 1.933 . . . . 0.0 109.048 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.68 149.45 32.87 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.64 3.176 . . . . 0.0 109.535 166.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.75 -22.26 3.36 Favored Glycine 0 CA--C 1.563 3.06 0 O-C-N 126.176 2.173 . . . . 0.0 116.099 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.81 101.79 7.01 Favored 'Isoleucine or valine' 0 C--O 1.281 2.718 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -150.97 149.41 29.57 Favored 'General case' 0 N--CA 1.526 3.334 0 O-C-N 126.53 2.394 . . . . 0.0 113.413 167.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -49.34 -39.85 33.18 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 124.135 0.897 . . . . 0.0 112.821 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -59.58 -18.94 45.19 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 127.816 2.446 . . . . 0.0 117.282 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -96.66 12.53 31.46 Favored 'General case' 0 N--CA 1.419 -2.009 0 O-C-N 117.079 -3.513 . . . . 0.0 113.846 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.37 138.35 58.38 Favored 'General case' 0 N--CA 1.427 -1.621 0 O-C-N 118.748 -2.47 . . . . 0.0 107.927 163.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -76.81 143.22 39.93 Favored 'General case' 0 N--CA 1.482 1.142 1 C-N-CA 133.446 4.698 . . . . 0.0 109.048 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 -72.98 161.73 30.34 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 119.928 -1.732 . . . . 0.0 110.324 173.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . 0.421 ' SG ' ' HA ' ' B' ' 55' ' ' MET . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' MET . . . . . 0.421 ' HA ' ' SG ' ' B' ' 48' ' ' CYS . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -100.1 137.9 37.9 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -122.21 112.04 17.68 Favored 'General case' 0 C--O 1.193 -1.883 0 C-N-CA 128.46 2.704 . . . . 0.0 105.919 -168.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -61.91 -25.67 67.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 119.378 3.103 . . . . 0.0 119.378 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.33 169.96 22.97 Favored Glycine 0 CA--C 1.475 -2.408 0 CA-C-O 124.924 2.402 . . . . 0.0 116.072 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.18 -166.34 2.07 Favored Glycine 0 C--O 1.209 -1.465 0 O-C-N 118.747 -2.62 . . . . 0.0 112.531 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -143.09 135.68 24.97 Favored 'Isoleucine or valine' 0 C--O 1.277 2.522 0 O-C-N 118.016 -3.049 . . . . 0.0 111.795 -166.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 119.931 1.242 . . . . 0.0 113.415 -178.231 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.49 -24.42 66.58 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 -127.05 25.14 6.28 Favored 'General case' 0 C--O 1.16 -3.607 0 C-N-CA 129.253 3.021 . . . . 0.0 116.65 176.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt -149.41 145.2 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -68.6 -44.21 74.8 Favored 'General case' 0 N--CA 1.521 3.089 0 O-C-N 127.626 3.079 . . . . 0.0 109.13 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -73.21 125.74 28.45 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.601 1.188 . . . . 0.0 109.795 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.83 -168.07 54.24 Favored Glycine 0 C--O 1.251 1.186 0 CA-C-O 122.371 0.984 . . . . 0.0 111.567 159.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -50.47 139.28 15.88 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.48 0 O-C-N 118.687 -2.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 127.09 30.19 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 128.949 3.906 . . . . 0.0 115.333 171.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -130.4 162.58 28.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.736 1.731 . . . . 0.0 112.207 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -147.43 133.15 18.91 Favored 'General case' 0 C--O 1.266 1.924 0 O-C-N 118.003 -2.936 . . . . 0.0 108.585 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -73.94 127.57 87.99 Favored Pre-proline 0 C--N 1.375 1.71 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 165.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -79.05 150.42 23.15 Favored 'Trans proline' 0 C--O 1.251 1.165 0 CA-C-O 126.679 2.7 . . . . 0.0 110.317 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.54 144.23 14.02 Favored 'General case' 0 CA--C 1.565 1.536 1 C-N-CA 133.719 4.808 . . . . 0.0 114.872 -179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.39 177.49 9.4 Favored 'General case' 0 C--O 1.21 -1.014 1 O-C-N 115.069 -4.769 . . . . 0.0 111.208 -174.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.36 20.24 0.05 OUTLIER Glycine 1 C--N 1.4 4.084 0 CA-C-O 115.251 -2.971 . . . . 0.0 118.531 -166.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.1 87.01 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 C-N-CA 115.034 -2.666 . . . . 0.0 110.612 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -163.28 121.34 1.96 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.972 1.709 . . . . 0.0 106.389 -166.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.3 p -60.08 -30.42 69.21 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 123.908 3.049 . . . . 0.0 114.31 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -47.69 -21.1 0.33 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 170.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -81.74 4.54 21.58 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.26 148.04 47.58 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.458 -1.401 . . . . 0.0 111.61 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.45 137.91 54.84 Favored 'General case' 0 CA--C 1.602 2.972 0 C-N-CA 129.345 3.058 . . . . 0.0 112.707 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.446 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 -72.4 141.99 48.7 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 127.573 2.349 . . . . 0.0 112.391 170.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.4 ' CD2' HG21 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.482 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.482 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.4 HG21 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -97.45 99.39 10.81 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.11 135.73 55.86 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 129.105 2.962 . . . . 0.0 114.213 -170.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 21.3 p -84.76 -17.8 37.11 Favored 'General case' 0 N--CA 1.517 2.891 0 C-N-CA 116.737 -1.985 . . . . 0.0 109.591 -163.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 -169.02 54.92 Favored Glycine 0 CA--C 1.488 -1.646 0 CA-C-O 125.971 2.984 . . . . 0.0 115.218 -167.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.18 -169.81 46.32 Favored Glycine 1 N--CA 1.521 4.336 1 O-C-N 115.838 -4.33 . . . . 0.0 116.414 -168.223 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.2 t -132.99 109.62 14.38 Favored 'Isoleucine or valine' 0 C--O 1.261 1.672 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.574 1.888 0 C-N-CA 126.756 2.022 . . . . 0.0 112.35 -176.778 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.518 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -70.4 2.64 3.65 Favored 'General case' 0 C--O 1.264 1.865 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.54 1.43 3.72 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 168.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -142.31 147.72 20.98 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.31 -20.09 40.22 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 119.141 -2.224 . . . . 0.0 113.732 -173.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.93 154.79 38.36 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 124.087 1.898 . . . . 0.0 115.382 163.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.68 -174.87 55.15 Favored Glycine 0 N--CA 1.409 -3.14 0 O-C-N 117.17 -3.456 . . . . 0.0 117.825 -172.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -127.97 118.1 22.93 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.016 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 CA--C 1.611 3.294 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 159.88 10.9 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.896 1.372 . . . . 0.0 113.081 165.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -129.03 149.85 50.68 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.522 1.129 . . . . 0.0 110.291 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.291 35.6 tt0 -131.34 131.51 43.78 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.74 2.416 . . . . 0.0 114.655 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -37.86 133.12 0.87 Allowed Pre-proline 0 N--CA 1.503 2.186 0 CA-C-O 112.563 -3.589 . . . . 0.0 115.689 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -81.55 170.22 14.65 Favored 'Trans proline' 0 N--CA 1.525 3.376 0 CA-C-N 123.592 2.319 . . . . 0.0 113.404 -172.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -57.99 134.54 56.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.859 2.864 . . . . 0.0 115.192 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -148.94 157.09 43.16 Favored 'General case' 0 N--CA 1.521 3.08 0 CA-C-O 117.167 -1.397 . . . . 0.0 108.438 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.45 39.6 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 O-C-N 125.658 1.849 . . . . 0.0 115.023 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.22 91.88 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.384 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.569 166.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -151.33 137.98 18.78 Favored 'General case' 0 CA--C 1.591 2.531 0 C-N-CA 127.626 2.37 . . . . 0.0 116.06 169.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -44.01 -43.26 6.59 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 120.905 -1.122 . . . . 0.0 113.838 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.78 -22.46 64.13 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -82.62 -4.67 58.07 Favored 'General case' 0 CA--C 1.598 2.801 0 N-CA-C 120.679 3.585 . . . . 0.0 120.679 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.11 163.41 3.67 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 122.265 1.031 . . . . 0.0 109.595 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -89.25 156.35 18.81 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -79.0 157.33 28.13 Favored 'General case' 0 C--O 1.269 2.13 0 O-C-N 127.53 3.019 . . . . 0.0 112.251 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -80.25 132.39 35.84 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -69.97 152.08 44.86 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 127.414 2.285 . . . . 0.0 111.984 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.9 p -116.96 -43.66 2.86 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 128.468 2.707 . . . . 0.0 106.124 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.04 -161.57 49.63 Favored Glycine 0 N--CA 1.406 -3.36 0 O-C-N 118.881 -2.387 . . . . 0.0 116.813 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.54 -163.17 26.02 Favored Glycine 0 C--N 1.369 2.384 0 CA-C-O 127.545 3.858 . . . . 0.0 116.782 -166.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.4 t -152.56 114.74 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 110.878 -2.661 . . . . 0.0 107.394 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 CA--C 1.598 2.798 0 CA-C-O 113.116 -3.325 . . . . 0.0 110.532 171.5 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -63.97 -30.84 71.89 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.444 1.897 . . . . 0.0 115.347 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -145.23 22.54 1.52 Allowed 'General case' 0 N--CA 1.525 3.319 0 C-N-CA 125.921 1.689 . . . . 0.0 112.1 -168.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' CD1' ' B' ' 32' ' ' PHE . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt -134.02 144.76 34.59 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -108.78 -17.49 13.93 Favored 'General case' 0 CA--C 1.56 1.349 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -166.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -63.07 95.74 0.09 Allowed 'General case' 0 C--O 1.277 2.532 0 C-N-CA 115.264 -2.574 . . . . 0.0 114.116 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.05 154.13 27.53 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 106.874 -2.49 . . . . 0.0 106.874 163.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.311 3.7 tp10 -68.01 -37.05 80.97 Favored 'General case' 0 CA--C 1.44 -3.272 0 O-C-N 118.282 -2.893 . . . . 0.0 109.767 170.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.12 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.529 3.483 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 148.53 37.14 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 120.594 1.543 . . . . 0.0 114.523 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -141.2 161.73 37.18 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 127.894 2.478 . . . . 0.0 107.089 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.73 154.51 19.09 Favored 'General case' 0 N--CA 1.511 2.589 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -72.29 119.68 76.16 Favored Pre-proline 0 C--N 1.381 1.978 0 C-N-CA 126.954 2.102 . . . . 0.0 112.9 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 142.12 35.16 Favored 'Trans proline' 0 C--N 1.372 1.8 0 CA-C-N 121.163 1.451 . . . . 0.0 113.49 -171.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -77.07 140.36 40.28 Favored 'General case' 0 C--O 1.27 2.145 0 O-C-N 127.475 2.985 . . . . 0.0 115.213 -167.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -145.32 2.94 1.0 Allowed 'General case' 0 C--O 1.191 -1.988 0 O-C-N 126.319 2.262 . . . . 0.0 109.659 -155.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.53 53.06 0.05 OUTLIER Glycine 0 CA--C 1.546 1.98 0 N-CA-C 120.269 2.867 . . . . 0.0 120.269 -171.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 99.89 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.395 0 O-C-N 118.583 -2.716 . . . . 0.0 104.739 155.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' B' ' 13' ' ' GLU . 78.0 tttt -161.69 143.8 11.63 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 120.209 1.368 . . . . 0.0 109.976 -169.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.9 p -73.31 -15.98 61.38 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 123.883 1.801 . . . . 0.0 111.334 -174.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.545 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 64.8 mm-40 -73.54 -24.43 60.12 Favored 'General case' 1 CA--C 1.632 4.133 1 O-C-N 116.111 -4.118 . . . . 0.0 109.695 175.889 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -80.73 2.17 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 120.575 3.546 . . . . 0.0 120.575 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -73.96 146.35 43.97 Favored 'General case' 0 C--O 1.276 2.458 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.375 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.284 33.1 m-20 -94.46 157.39 16.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.658 -1.217 . . . . 0.0 112.22 -171.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.606 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 -76.76 173.97 11.03 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 129.765 3.226 . . . . 0.0 111.293 -164.07 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.606 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -71.37 122.85 21.07 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.74 159.63 13.22 Favored 'General case' 0 C--O 1.194 -1.835 0 C-N-CA 126.567 1.947 . . . . 0.0 107.794 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.8 p -100.66 -40.94 7.13 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 117.036 -3.54 . . . . 0.0 112.209 170.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.74 -138.79 49.05 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-O 115.7 -2.722 . . . . 0.0 117.702 -164.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.39 173.58 44.3 Favored Glycine 0 C--O 1.191 -2.539 0 CA-C-N 121.777 2.789 . . . . 0.0 118.666 -165.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 21.1 t -124.39 149.28 28.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.381 0 C-N-CA 127.923 2.489 . . . . 0.0 111.179 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 128.265 2.626 . . . . 0.0 115.039 -151.003 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.65 -28.91 68.93 Favored 'General case' 0 N--CA 1.526 3.325 0 CA-C-O 125.891 2.758 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -143.27 19.67 1.91 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.604 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.16 140.41 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -109.92 -32.83 6.9 Favored 'General case' 0 CA--C 1.593 2.616 0 CA-C-N 121.277 1.853 . . . . 0.0 113.001 -167.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -102.4 98.07 8.23 Favored 'General case' 0 C--O 1.197 -1.689 0 C-N-CA 128.921 2.888 . . . . 0.0 112.363 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.29 -168.18 34.7 Favored Glycine 0 C--O 1.199 -2.075 0 O-C-N 127.65 3.094 . . . . 0.0 111.086 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -122.6 -52.37 1.92 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.8 2.04 . . . . 0.0 107.367 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.249 0 O-C-N 122.04 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 CA--C 1.491 -1.289 0 CA-C-O 124.389 2.042 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.05 158.48 19.82 Favored 'General case' 0 N--CA 1.517 2.919 0 O-C-N 118.193 -2.817 . . . . 0.0 115.543 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.92 146.26 46.82 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 111.562 -2.563 . . . . 0.0 109.511 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -68.74 128.28 36.09 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 121.496 1.953 . . . . 0.0 110.663 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -80.99 114.54 49.46 Favored Pre-proline 0 C--O 1.212 -0.891 0 CA-C-O 112.813 -3.47 . . . . 0.0 111.711 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -66.51 142.21 64.2 Favored 'Trans proline' 0 CA--C 1.489 -1.735 0 C-N-CA 125.05 3.833 . . . . 0.0 113.71 -172.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -82.97 88.58 6.84 Favored 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 126.333 1.853 . . . . 0.0 111.965 169.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -159.2 -16.07 0.06 Allowed 'General case' 0 CA--C 1.451 -2.858 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 117.38 5.13 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 103.757 -3.737 . . . . 0.0 103.757 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.95 122.7 30.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 CA-C-N 113.002 -1.599 . . . . 0.0 108.977 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -134.68 145.71 48.79 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -69.21 -18.98 63.96 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 124.03 1.871 . . . . 0.0 114.612 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.09 -20.04 56.22 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 116.675 -1.631 . . . . 0.0 113.284 164.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -88.72 -0.2 57.08 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 116.422 -1.751 . . . . 0.0 110.789 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.301 0.8 OUTLIER -81.49 142.04 33.27 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-N 122.813 2.551 . . . . 0.0 111.651 -176.384 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -71.14 142.21 50.73 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-O 126.131 2.872 . . . . 0.0 109.754 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -62.86 159.79 15.95 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 161.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.5 mm100 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' THR . . . . . 0.456 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -74.48 150.5 39.85 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -53.68 157.57 2.21 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 122.973 1.368 . . . . 0.0 112.281 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 82.0 p -123.28 20.49 9.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 124.759 2.219 . . . . 0.0 113.291 -167.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.06 -160.54 48.48 Favored Glycine 0 CA--C 1.557 2.697 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.041 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.83 -146.02 4.42 Favored Glycine 0 C--N 1.391 3.611 0 O-C-N 120.355 -1.674 . . . . 0.0 109.188 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.57 125.31 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 C-N-CA 128.615 2.766 . . . . 0.0 112.118 -168.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.26 1.618 0 C-N-CA 128.599 2.76 . . . . 0.0 111.452 -170.258 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -57.29 -35.58 69.98 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 126.745 2.018 . . . . 0.0 115.41 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -115.59 11.85 15.95 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.184 2.194 . . . . 0.0 114.3 171.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt -135.97 151.82 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -125.18 -5.2 7.31 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -64.72 127.34 31.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 128.142 3.401 . . . . 0.0 108.95 151.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.48 -162.76 45.88 Favored Glycine 0 CA--C 1.549 2.168 0 O-C-N 119.956 -1.715 . . . . 0.0 111.292 -175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -119.82 7.06 10.92 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.423 -2.222 . . . . 0.0 107.902 164.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.638 0 O-C-N 119.533 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 tpp . . . . . 0 N--CA 1.501 2.122 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 154.51 24.58 Favored 'General case' 1 CA--C 1.639 4.386 0 CA-C-O 115.517 -2.182 . . . . 0.0 111.053 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.273 23.0 t70 -125.34 130.41 51.9 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 129.298 3.039 . . . . 0.0 116.224 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.27 117.91 3.93 Favored 'General case' 0 CA--C 1.581 2.15 0 CA-C-N 120.808 1.64 . . . . 0.0 115.33 171.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -105.11 114.98 63.03 Favored Pre-proline 0 C--N 1.378 1.835 0 CA-C-O 114.593 -2.622 . . . . 0.0 108.277 -170.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -71.47 147.99 53.29 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 CA-C-N 123.287 2.21 . . . . 0.0 114.775 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.86 94.32 4.52 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.598 3.559 . . . . 0.0 107.421 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.5 8.85 0.71 Allowed 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -170.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.86 132.61 6.1 Favored Glycine 0 CA--C 1.559 2.806 0 C-N-CA 129.394 3.378 . . . . 0.0 114.049 171.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -94.63 138.01 21.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 -171.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.02 138.15 31.64 Favored 'General case' 0 C--O 1.201 -1.498 0 O-C-N 119.653 -1.904 . . . . 0.0 108.733 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.0 p -64.29 -7.82 10.74 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -62.74 -49.68 74.05 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 168.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.8 -7.85 53.76 Favored 'General case' 0 C--O 1.172 -2.998 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -155.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.46 149.63 49.06 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.65 155.23 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.036 -1.665 . . . . 0.0 110.988 -173.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.49 164.99 25.94 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.581 -1.949 . . . . 0.0 112.883 156.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.31 150.47 47.33 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -70.09 164.24 24.51 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 126.079 2.847 . . . . 0.0 108.033 -169.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -130.57 -8.75 4.1 Favored 'General case' 0 CA--C 1.597 2.759 0 CA-C-N 113.063 -1.88 . . . . 0.0 112.193 169.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.29 169.34 43.39 Favored Glycine 0 CA--C 1.543 1.822 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.276 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.28 174.45 32.4 Favored Glycine 0 C--O 1.2 -2.008 0 O-C-N 125.601 1.412 . . . . 0.0 115.268 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.2 t -81.84 128.03 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 C-N-CA 128.146 2.578 . . . . 0.0 109.548 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 114.449 -2.691 . . . . 0.0 108.598 -174.362 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.615 3.48 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 . . . . . 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB ' ' B' ' 38' ' ' THR . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.52 ' HB ' HD12 ' B' ' 34' ' ' ILE . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' B' ' 69' ' ' GLU . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.499 HD11 HG21 ' B' ' 34' ' ' ILE . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.477 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.674 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.674 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 121.622 0.725 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.638 HD12 HG11 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.443 HG21 HD11 ' B' ' 43' ' ' LEU . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.443 HD11 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 41' ' ' ILE . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 HD11 ' B' ' 84' ' ' ILE . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' B' ' 72' ' ' THR . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.485 HD11 HD22 ' B' ' 40' ' ' LEU . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG13 HG11 ' B' ' 30' ' ' VAL . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 . . . . . 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.516 HG11 HG13 ' A' ' 41' ' ' ILE . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.487 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 34' ' ' ILE . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.444 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' B' ' 60' ' ' PHE . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' B' ' 58' ' ' ILE . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 . . . . . 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--O 1.274 2.393 0 CA-C-O 123.704 1.716 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 . . . . . 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.514 HG21 HD11 ' B' ' 43' ' ' LEU . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.433 ' HB ' HD12 ' B' ' 34' ' ' ILE . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.514 HD11 HG21 ' B' ' 34' ' ' ILE . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 60' ' ' PHE . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 58' ' ' ILE . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' B' ' 76' ' ' LEU . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 CA--C 1.498 -1.052 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--O 1.241 0.607 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 . . . . . 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' B' ' 72' ' ' THR . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' B' ' 43' ' ' LEU . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 40' ' ' LEU . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 86' ' ' VAL . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 60' ' ' PHE . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 . . . . . 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.419 HG23 HG13 ' B' ' 34' ' ' ILE . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.544 HD12 HD11 ' B' ' 34' ' ' ILE . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.544 HD11 HD12 ' B' ' 20' ' ' LEU . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.425 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' ' HG ' ' B' ' 53' ' ' LEU . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 51' ' ' GLN . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH22 ' B' ' 50' ' ' ARG 0.428 3.2 t0 . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt . . . . . 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 2 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 122.439 1.114 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' B' ' 72' ' ' THR . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.413 HH22 ' CG ' ' A' ' 38' ' ' ASP . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.503 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.503 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.464 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.562 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.562 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 40' ' ' LEU 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.269 30.3 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 123.633 1.683 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 . . . . . 0 CA--C 1.611 3.327 0 CA-C-O 124.926 2.298 . . . . 0.0 107.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.419 HG21 HD21 ' B' ' 43' ' ' LEU . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.419 HD21 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.462 HG21 HD13 ' B' ' 58' ' ' ILE 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 . . . . . 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.569 1.695 0 CA-C-O 115.085 -2.388 . . . . 0.0 116.134 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt . . . . . 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 42' ' ' LYS . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 39' ' ' PRO . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 43' ' ' LEU . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' B' ' 72' ' ' THR . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 CA--C 1.579 2.086 0 CA-C-O 123.715 1.721 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.492 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.492 ' HB3' ' H ' ' B' ' 72' ' ' THR . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 . . . . . 0 CA--C 1.578 2.04 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.639 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' B' ' 40' ' ' LEU . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 66' ' ' PRO . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 65' ' ' GLN . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' THR . . . . . 0.607 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLN . . . . . 0.607 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 . . . . . 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.415 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' PHE . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 . . . . . 0 C--O 1.252 1.226 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.495 ' HB2' HG22 ' B' ' 29' ' ' VAL . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.495 HG22 ' HB2' ' B' ' 23' ' ' ALA . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 39' ' ' ALA . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 . . . . . 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 . . . . . 0 C--O 1.16 -3.607 0 N-CA-C 116.65 2.092 . . . . 0.0 116.65 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.435 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 . . . . . 0 CA--C 1.573 1.861 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.391 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.541 ' CD2' HG22 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.506 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 . . . . . 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' B' ' 34' ' ' ILE . 67.2 mt . . . . . 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 . . . . . 0 C--O 1.269 2.13 0 CA-C-O 121.522 0.677 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.438 HD13 HG21 ' B' ' 34' ' ' ILE . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.525 3.319 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt . . . . . 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 . . . . . 1 N--CA 1.549 4.477 0 CA-C-O 121.573 0.701 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' B' ' 34' ' ' ILE . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.624 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' B' ' 20' ' ' LEU . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.449 HD13 HG21 ' B' ' 67' ' ' ILE . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.449 HG21 HD13 ' B' ' 40' ' ' LEU . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 CA--C 1.562 1.425 0 CA-C-O 121.346 0.594 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 29' ' ' VAL . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 27' ' ' GLY . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 39' ' ' ALA . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 44' ' ' MET . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 86' ' ' VAL . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' B' ' 63' ' ' ASP . 5.6 mm-40 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' HG3' ' B' ' 78' ' ' MET . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' B' ' 76' ' ' LEU . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' B' ' 60' ' ' PHE . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 124.364 2.031 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HB3' ' B' ' 33' ' ' LYS . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.203 -1.365 0 CA-C-O 123.531 1.634 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HB3' HG13 ' A' ' 42' ' ' VAL . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' B' ' 86' ' ' VAL . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' B' ' 47' ' ' TYR . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 . . . . . 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.393 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -55.26 -42.2 73.22 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-O 124.43 2.062 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.49 25.65 4.35 Favored 'General case' 0 CA--C 1.615 3.48 1 O-C-N 116.247 -4.033 . . . . 0.0 113.686 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt -134.91 130.06 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' B' ' 38' ' ' THR . 14.5 t0 -143.84 55.51 1.32 Allowed 'General case' 0 N--CA 1.523 3.182 0 O-C-N 126.289 2.243 . . . . 0.0 115.463 -168.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -138.15 145.36 41.46 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 129.657 3.183 . . . . 0.0 116.709 -174.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.21 145.67 7.66 Favored Glycine 0 C--O 1.197 -2.166 0 C-N-CA 117.683 -2.199 . . . . 0.0 114.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.68 -23.83 64.44 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-O 117.081 -1.438 . . . . 0.0 113.125 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 120.751 1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtt . . . . . 0 C--O 1.253 1.279 0 CA-C-O 125.877 2.751 . . . . 0.0 106.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.04 135.11 38.63 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 110.104 -3.226 . . . . 0.0 112.519 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -92.82 28.84 1.94 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 125.119 2.39 . . . . 0.0 112.8 -173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.09 142.61 57.06 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 117.461 -3.274 . . . . 0.0 115.397 -173.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -151.05 128.0 5.41 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 129.204 3.002 . . . . 0.0 111.045 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.72 145.86 69.03 Favored 'Trans proline' 0 N--CA 1.52 3.083 0 N-CA-C 115.443 1.286 . . . . 0.0 115.443 162.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -110.18 137.19 48.25 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 127.257 2.223 . . . . 0.0 111.427 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.89 140.37 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 118.416 -1.314 . . . . 0.0 113.728 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.49 22.26 0.68 Allowed Glycine 0 CA--C 1.564 3.152 0 O-C-N 119.53 -1.981 . . . . 0.0 116.698 -171.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -107.81 142.54 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.106 0 C-N-CA 128.047 2.539 . . . . 0.0 112.341 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -136.43 85.08 2.12 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 119.414 -2.054 . . . . 0.0 110.309 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -70.98 -24.15 62.34 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-O 115.299 -2.286 . . . . 0.0 114.651 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -89.17 16.65 6.91 Favored 'General case' 0 CA--C 1.585 2.289 0 CA-C-N 122.256 2.298 . . . . 0.0 110.842 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -66.75 156.62 34.93 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 159.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.71 165.78 24.15 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 126.326 1.85 . . . . 0.0 109.441 167.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.08 135.84 39.88 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -104.51 146.32 29.04 Favored 'General case' 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 166.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB ' ' B' ' 38' ' ' THR . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.52 ' HB ' HD12 ' B' ' 34' ' ' ILE . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' B' ' 69' ' ' GLU . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.499 HD11 HG21 ' B' ' 34' ' ' ILE . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.477 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.674 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.674 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -144.66 156.64 44.2 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -147.03 51.59 1.09 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 36.6 p -79.2 168.97 18.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 124.353 2.025 . . . . 0.0 110.647 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.23 32.93 Favored Glycine 0 CA--C 1.564 3.113 0 CA-C-N 114.155 -1.384 . . . . 0.0 114.076 -175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.21 173.6 7.8 Favored Glycine 0 N--CA 1.493 2.488 0 CA-C-O 119.696 -0.502 . . . . 0.0 113.655 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.26 124.9 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 127.809 2.444 . . . . 0.0 114.563 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--O 1.27 2.141 0 C-N-CA 126.669 1.988 . . . . 0.0 109.378 173.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.38 -23.0 26.32 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 127.699 2.4 . . . . 0.0 112.829 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.24 17.16 0.28 Allowed 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 126.991 2.117 . . . . 0.0 112.885 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.638 HD12 HG11 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.13 144.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.267 3.1 t70 -136.4 -25.28 1.18 Allowed 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 121.043 3.719 . . . . 0.0 121.043 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -142.98 172.65 12.42 Favored 'General case' 0 C--O 1.269 2.123 0 C-N-CA 125.182 1.393 . . . . 0.0 112.612 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.23 166.33 37.01 Favored Glycine 0 C--N 1.394 3.778 0 O-C-N 117.863 -3.023 . . . . 0.0 118.409 -166.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -152.53 -44.57 0.1 Allowed 'General case' 0 CA--C 1.603 3.012 0 C-N-CA 125.946 1.698 . . . . 0.0 108.985 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.146 0 O-C-N 118.428 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.16 159.29 18.25 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.24 -167.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.296 1.5 t0 -141.29 12.22 2.16 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 -169.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -80.18 116.77 20.46 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 116.988 -3.57 . . . . 0.0 108.592 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -134.87 130.54 19.63 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 126.955 2.659 . . . . 0.0 108.191 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -68.87 161.45 45.58 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-O 123.227 1.261 . . . . 0.0 110.32 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -118.23 163.61 16.41 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -76.93 129.64 36.44 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 128.824 2.85 . . . . 0.0 110.68 168.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.96 46.78 2.45 Favored Glycine 0 C--O 1.217 -0.93 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.5 t -140.72 137.15 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.098 0 O-C-N 121.067 -1.255 . . . . 0.0 113.933 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.7 80.8 1.16 Allowed 'General case' 0 CA--C 1.468 -2.204 0 O-C-N 120.106 -1.621 . . . . 0.0 107.796 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -89.46 8.24 31.94 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.87 -9.72 16.71 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 153.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -75.2 148.1 39.83 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.052 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -154.76 154.92 33.59 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 126.802 2.564 . . . . 0.0 114.995 159.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.72 163.3 25.99 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 122.133 2.242 . . . . 0.0 111.369 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -137.09 151.4 48.84 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.443 1.097 . . . . 0.0 112.894 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.443 HG21 HD11 ' B' ' 43' ' ' LEU . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.443 HD11 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -137.56 161.38 36.59 Favored 'General case' 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.23 33.5 0.65 Allowed 'General case' 0 N--CA 1.508 2.438 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . 0.277 56.4 p -66.47 145.47 55.62 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 118.253 -2.779 . . . . 0.0 113.295 -163.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.62 -150.08 32.54 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 118.633 -2.542 . . . . 0.0 112.34 -165.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.68 -174.69 42.09 Favored Glycine 0 N--CA 1.484 1.893 0 O-C-N 127.097 2.292 . . . . 0.0 115.763 -175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -138.48 140.7 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 128.019 2.527 . . . . 0.0 108.183 163.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.27 0 O-C-N 125.312 1.633 . . . . 0.0 111.851 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.47 -24.75 61.23 Favored 'General case' 0 N--CA 1.513 2.695 0 C-N-CA 126.967 2.107 . . . . 0.0 115.432 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -148.08 61.29 1.12 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 -170.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 41' ' ' ILE . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.26 149.85 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.0 32.26 5.13 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -141.05 163.6 32.54 Favored 'General case' 0 N--CA 1.518 2.936 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 -179.74 48.79 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 117.616 -2.231 . . . . 0.0 113.517 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -146.5 -66.45 0.28 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 127.883 2.473 . . . . 0.0 115.353 -157.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.458 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.193 -1.919 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.17 169.63 0.8 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 129.462 3.105 . . . . 0.0 110.804 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.96 -21.7 63.23 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 126.01 2.069 . . . . 0.0 114.731 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -53.16 142.15 21.31 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -168.21 143.55 3.01 Favored Pre-proline 0 N--CA 1.479 1.008 0 O-C-N 118.554 -2.592 . . . . 0.0 111.108 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -62.54 147.91 94.11 Favored 'Trans proline' 0 N--CA 1.509 2.438 0 C-N-CA 120.764 0.976 . . . . 0.0 112.101 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.79 136.0 14.84 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 124.522 2.106 . . . . 0.0 109.703 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -69.4 141.89 54.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.938 -1.937 . . . . 0.0 114.139 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.34 -11.1 82.66 Favored Glycine 0 CA--C 1.472 -2.656 0 N-CA-C 121.181 3.232 . . . . 0.0 121.181 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 73.6 t -73.92 139.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 CA-C-N 119.86 1.83 . . . . 0.0 111.327 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.03 101.64 3.86 Favored 'General case' 1 N--CA 1.553 4.684 0 N-CA-C 101.345 -3.576 . . . . 0.0 101.345 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -61.95 -16.6 52.34 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 160.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.84 5.74 1.83 Allowed 'General case' 1 N--CA 1.54 4.045 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 165.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -98.29 135.96 39.15 Favored 'General case' 0 N--CA 1.411 -2.392 0 O-C-N 120.528 -1.358 . . . . 0.0 111.592 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.28 125.75 5.65 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 127.612 2.365 . . . . 0.0 108.916 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -70.76 118.03 13.03 Favored 'General case' 0 CA--C 1.597 2.779 0 CA-C-O 126.585 3.088 . . . . 0.0 114.349 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -68.73 148.53 50.23 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 128.714 2.806 . . . . 0.0 117.844 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 HD11 ' B' ' 84' ' ' ILE . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' B' ' 72' ' ' THR . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.485 HD11 HD22 ' B' ' 40' ' ' LEU . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -93.92 156.71 16.48 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -131.9 50.85 2.2 Favored 'General case' 0 C--O 1.284 2.897 0 C-N-CA 128.047 2.539 . . . . 0.0 115.819 177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 56.5 p -76.56 157.75 31.75 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-O 124.541 2.115 . . . . 0.0 113.614 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.72 -146.98 23.68 Favored Glycine 1 N--CA 1.53 4.926 0 CA-C-O 117.835 -1.536 . . . . 0.0 109.92 -172.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.66 147.82 20.54 Favored Glycine 0 C--N 1.375 2.724 0 CA-C-N 119.845 1.822 . . . . 0.0 112.062 170.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 90.3 t -85.06 113.63 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 113.32 -3.229 . . . . 0.0 112.871 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.379 1.865 0 O-C-N 129.1 4.0 . . . . 0.0 109.447 177.628 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.506 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -75.86 -27.7 57.88 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.211 3.004 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.44 43.22 2.48 Favored 'General case' 0 C--N 1.274 -2.69 0 O-C-N 119.142 -2.224 . . . . 0.0 111.785 -172.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG13 HG11 ' B' ' 30' ' ' VAL . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt -58.72 142.77 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -139.95 -5.3 1.32 Allowed 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 116.357 -3.965 . . . . 0.0 120.69 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.69 173.56 9.51 Favored 'General case' 0 C--O 1.194 -1.837 1 C-N-CA 133.583 4.753 . . . . 0.0 114.223 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 178.97 48.83 Favored Glycine 0 C--O 1.262 1.868 0 C-N-CA 126.808 2.147 . . . . 0.0 114.51 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -121.46 -25.82 5.09 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 119.117 -2.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.061 1.41 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.9 138.08 57.52 Favored 'General case' 1 N--CA 1.545 4.322 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -169.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -72.6 7.79 1.73 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 113.785 -1.552 . . . . 0.0 114.033 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -46.13 113.92 0.7 Allowed 'General case' 0 C--O 1.219 -0.528 1 C-N-CA 131.734 4.013 . . . . 0.0 115.519 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -139.57 144.9 41.31 Favored Pre-proline 0 N--CA 1.487 1.395 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.969 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -73.31 155.25 51.39 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.13 3.22 . . . . 0.0 111.809 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -141.73 128.22 20.11 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.19 151.0 47.92 Favored 'General case' 0 CA--C 1.616 3.508 0 O-C-N 119.081 -2.262 . . . . 0.0 112.933 -164.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.64 0.22 82.26 Favored Glycine 0 CA--C 1.459 -3.468 0 CA-C-O 125.475 2.708 . . . . 0.0 119.43 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 t -131.04 139.69 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 117.58 -3.306 . . . . 0.0 108.93 -173.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' HE2' ' HG2' ' B' ' 13' ' ' GLU . 69.0 tttt -145.18 139.66 27.39 Favored 'General case' 0 N--CA 1.417 -2.102 0 O-C-N 125.618 1.824 . . . . 0.0 110.25 170.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 p -59.85 -22.73 62.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 115.217 -2.593 . . . . 0.0 110.956 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' HG2' ' HE2' ' B' ' 11' ' ' LYS . 32.2 mm-40 -74.4 -13.09 60.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 115.362 -2.256 . . . . 0.0 109.112 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -69.27 -4.72 19.06 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 121.394 1.906 . . . . 0.0 115.208 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -69.22 132.73 46.96 Favored 'General case' 0 CA--C 1.582 2.189 1 O-C-N 114.637 -5.039 . . . . 0.0 111.563 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.56 128.58 36.76 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 129.524 3.13 . . . . 0.0 117.748 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -80.98 174.63 11.43 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.516 HG11 HG13 ' A' ' 41' ' ' ILE . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.487 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 34' ' ' ILE . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.444 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' B' ' 60' ' ' PHE . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' B' ' 58' ' ' ILE . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -115.66 88.34 2.86 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -82.46 49.64 1.49 Allowed 'General case' 0 C--N 1.366 1.311 0 O-C-N 119.65 -1.906 . . . . 0.0 114.459 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.7 p -53.14 153.33 3.71 Favored 'General case' 0 C--O 1.172 -2.98 0 O-C-N 119.891 -1.756 . . . . 0.0 113.244 -173.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.34 -168.39 42.13 Favored Glycine 0 CA--C 1.562 3.025 0 CA-C-O 122.677 1.154 . . . . 0.0 113.532 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.15 174.36 44.23 Favored Glycine 0 CA--C 1.572 3.627 0 C-N-CA 125.938 1.732 . . . . 0.0 117.197 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.33 69.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 127.111 2.164 . . . . 0.0 112.873 160.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 CA-C-N 112.74 -2.027 . . . . 0.0 113.621 -164.635 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -102.67 -43.11 5.69 Favored 'General case' 0 CA--C 1.492 -1.271 0 C-N-CA 125.91 1.684 . . . . 0.0 114.553 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.15 34.99 0.42 Allowed 'General case' 0 C--O 1.274 2.393 0 O-C-N 127.871 3.232 . . . . 0.0 113.643 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt -127.24 157.05 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' B' ' 42' ' ' LYS . 18.1 t0 -102.46 -28.29 12.29 Favored 'General case' 0 CA--C 1.61 3.252 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.494 -163.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.47 136.14 15.23 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.04 159.79 13.9 Favored Glycine 0 CA--C 1.569 3.419 0 O-C-N 118.588 -2.57 . . . . 0.0 115.36 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -114.6 130.13 56.75 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 127.364 2.266 . . . . 0.0 111.772 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.547 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 123.67 1.7 . . . . 0.0 108.679 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 147.2 37.19 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 118.286 -2.759 . . . . 0.0 112.824 -164.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -63.54 113.82 3.54 Favored 'General case' 0 CA--C 1.486 -1.502 0 C-N-CA 126.767 2.027 . . . . 0.0 114.699 -169.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.94 143.1 3.72 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -160.08 146.07 11.74 Favored Pre-proline 0 N--CA 1.522 3.173 0 O-C-N 116.939 -3.6 . . . . 0.0 111.445 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -60.99 168.97 6.51 Favored 'Trans proline' 0 N--CA 1.423 -2.672 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -130.75 147.58 52.43 Favored 'General case' 0 CA--C 1.623 3.781 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -95.8 126.77 41.29 Favored 'General case' 0 CA--C 1.602 2.967 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 156.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.65 -42.76 8.84 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 125.124 1.515 . . . . 0.0 112.24 -168.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.51 142.13 12.32 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.276 75.7 tttt -161.58 145.64 12.87 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 116.025 -2.27 . . . . 0.0 110.292 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -49.26 -23.57 1.43 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 129.393 3.077 . . . . 0.0 111.329 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -95.72 8.08 44.49 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -80.89 1.42 30.94 Favored 'General case' 0 C--O 1.261 1.686 0 C-N-CA 128.618 2.767 . . . . 0.0 113.101 168.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.258 64.5 t-20 -74.05 146.67 43.5 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 115.743 -4.348 . . . . 0.0 109.483 -166.475 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -109.86 132.46 54.13 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 121.505 1.957 . . . . 0.0 110.054 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.14 151.0 45.93 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.514 HG21 HD11 ' B' ' 43' ' ' LEU . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.433 ' HB ' HD12 ' B' ' 34' ' ' ILE . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 45' ' ' ASP . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.514 HD11 HG21 ' B' ' 34' ' ' ILE . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 60' ' ' PHE . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 58' ' ' ILE . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' B' ' 76' ' ' LEU . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -138.66 118.89 13.57 Favored 'General case' 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -94.5 52.47 1.55 Allowed 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.533 1.133 . . . . 0.0 108.134 -159.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 14.0 p -64.68 144.84 56.95 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 130.09 3.356 . . . . 0.0 107.354 163.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.84 -175.18 41.82 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 118.166 2.027 . . . . 0.0 118.166 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.7 -162.0 31.33 Favored Glycine 0 CA--C 1.577 3.924 0 CA-C-N 110.335 -2.933 . . . . 0.0 112.692 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.4 t -97.99 86.14 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.118 0 C-N-CA 126.42 1.888 . . . . 0.0 112.876 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.373 1.619 1 O-C-N 116.016 -4.177 . . . . 0.0 111.359 -159.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.07 -36.56 77.62 Favored 'General case' 0 C--O 1.194 -1.831 0 C-N-CA 125.02 1.328 . . . . 0.0 113.069 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -84.94 44.49 1.08 Allowed 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 126.994 2.683 . . . . 0.0 110.493 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.6 137.26 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.77 -55.39 5.03 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 117.95 -2.969 . . . . 0.0 112.081 -168.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -169.53 151.65 4.48 Favored 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 111.502 -2.59 . . . . 0.0 107.42 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.2 -166.67 30.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 117.245 1.658 . . . . 0.0 117.245 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -39.35 95.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 130.525 3.53 . . . . 0.0 115.344 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.513 2.709 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.73 158.17 0.33 Allowed 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 127.307 2.243 . . . . 0.0 114.056 153.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.35 151.49 36.63 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 128.074 2.55 . . . . 0.0 109.702 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -153.02 124.62 7.73 Favored 'General case' 0 C--O 1.25 1.106 0 C-N-CA 126.944 2.098 . . . . 0.0 113.734 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -146.99 116.56 4.46 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 128.328 2.651 . . . . 0.0 117.805 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.58 161.36 44.26 Favored 'Trans proline' 0 CA--C 1.594 3.507 1 C-N-CA 125.851 4.367 . . . . 0.0 113.482 173.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.255 80.1 tttt -75.68 136.32 40.4 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 9' ' ' GLY . 15.8 tt0 -73.25 149.5 42.74 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.578 3.151 . . . . 0.0 118.982 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' B' ' 8' ' ' GLU . . . -68.47 -52.05 28.25 Favored Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 127.569 2.509 . . . . 0.0 109.044 -153.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -141.34 122.75 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 131.448 3.899 . . . . 0.0 113.918 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -76.17 144.51 40.48 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 125.734 1.614 . . . . 0.0 112.099 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -46.99 -24.63 0.64 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.52 -6.07 55.21 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . 0.263 1.4 m120 -64.33 -26.94 68.7 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-O 114.233 -2.794 . . . . 0.0 112.047 -168.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -65.74 80.51 0.07 Allowed 'General case' 0 CA--C 1.579 2.085 1 C-N-CA 136.396 5.878 . . . . 0.0 111.164 163.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.34 158.42 31.65 Favored 'General case' 0 CA--C 1.589 2.476 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -164.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -61.82 161.51 10.19 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 175.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.78 146.01 48.63 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -114.07 25.15 11.37 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 126.135 2.147 . . . . 0.0 113.486 -158.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.9 p -47.5 144.41 3.08 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.12 -156.91 18.57 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 126.977 2.227 . . . . 0.0 111.807 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.28 159.95 8.26 Favored Glycine 0 C--O 1.285 3.336 0 C-N-CA 127.31 2.386 . . . . 0.0 113.838 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.25 104.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 0 C-N-CA 125.207 1.403 . . . . 0.0 108.444 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 C--N 1.375 1.709 0 O-C-N 127.891 3.244 . . . . 0.0 114.898 -168.799 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -48.62 -4.69 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.4 1 O-C-N 132.252 5.97 . . . . 0.0 113.958 . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -87.44 43.37 1.1 Allowed 'General case' 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 -168.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt -138.43 135.76 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -95.49 -53.58 3.69 Favored 'General case' 0 CA--C 1.576 1.945 0 CA-C-N 124.448 3.295 . . . . 0.0 111.861 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -160.32 139.93 11.06 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 129.581 3.152 . . . . 0.0 106.625 -168.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.92 -152.21 23.78 Favored Glycine 0 C--N 1.383 3.147 0 CA-C-N 111.566 -2.561 . . . . 0.0 117.151 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.7 134.77 36.02 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 120.271 2.036 . . . . 0.0 112.274 -173.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-N 116.411 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 100.305 -3.961 . . . . 0.0 100.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.74 163.19 20.36 Favored 'General case' 0 C--O 1.298 3.605 1 O-C-N 115.907 -4.246 . . . . 0.0 113.463 169.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -77.22 110.94 12.33 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 125.295 1.622 . . . . 0.0 115.225 -161.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -136.08 52.64 1.97 Allowed 'General case' 0 N--CA 1.416 -2.172 0 C-N-CA 128.514 2.725 . . . . 0.0 108.683 171.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.77 138.34 70.68 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-O 114.21 -2.805 . . . . 0.0 110.538 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -56.81 137.43 81.42 Favored 'Trans proline' 0 C--O 1.192 -1.803 0 C-N-CA 124.784 3.656 . . . . 0.0 114.933 163.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -67.23 150.37 49.17 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 113.164 -3.303 . . . . 0.0 110.919 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.48 141.62 51.98 Favored 'General case' 0 CA--C 1.625 3.836 0 O-C-N 126.034 2.084 . . . . 0.0 112.776 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.15 -63.33 1.67 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.78 -1.676 . . . . 0.0 112.783 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.51 141.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.382 1.998 0 CA-C-O 116.791 -1.575 . . . . 0.0 110.251 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.586 ' HG2' ' H ' ' B' ' 12' ' ' THR . 72.6 tttt -146.93 -156.6 0.73 Allowed 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -165.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.586 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 41.2 p -117.51 6.62 12.56 Favored 'General case' 0 N--CA 1.516 2.834 1 O-C-N 114.17 -5.331 . . . . 0.0 115.584 172.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -110.51 24.08 13.43 Favored 'General case' 1 N--CA 1.546 4.33 1 O-C-N 116.176 -4.078 . . . . 0.0 114.948 -172.955 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -96.0 6.15 49.52 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -166.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.0 141.67 42.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.67 -1.894 . . . . 0.0 107.971 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.277 17.6 m-20 -109.09 122.96 48.39 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 128.309 2.643 . . . . 0.0 114.779 175.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -67.98 138.28 55.79 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 123.818 3.008 . . . . 0.0 115.206 -163.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' B' ' 72' ' ' THR . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' B' ' 43' ' ' LEU . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 40' ' ' LEU . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 86' ' ' VAL . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 60' ' ' PHE . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.85 148.28 51.71 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.14 122.99 23.64 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 118.523 -2.61 . . . . 0.0 114.632 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -131.82 131.45 42.88 Favored 'General case' 0 CA--C 1.462 -2.418 0 O-C-N 119.372 -2.08 . . . . 0.0 106.136 -159.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.4 -162.86 9.88 Favored Glycine 0 CA--C 1.56 2.884 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.35 -164.9 36.17 Favored Glycine 0 C--N 1.376 2.752 0 O-C-N 119.517 -2.166 . . . . 0.0 109.691 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.56 133.53 29.28 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.567 0 O-C-N 125.961 1.624 . . . . 0.0 108.691 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.408 -2.548 0 C-N-CA 129.977 3.311 . . . . 0.0 103.973 -168.619 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.26 -19.95 24.82 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 116.453 -1.737 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -73.19 17.41 0.13 Allowed 'General case' 0 C--N 1.318 -0.766 1 C-N-CA 132.169 4.187 . . . . 0.0 111.579 -178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -127.89 129.48 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.364 24.6 t0 -105.25 -11.2 16.63 Favored 'General case' 0 N--CA 1.523 3.197 0 C-N-CA 124.673 1.189 . . . . 0.0 110.936 -167.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -146.88 126.79 13.57 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.62 -155.07 25.71 Favored Glycine 0 N--CA 1.508 3.452 1 O-C-N 116.251 -4.031 . . . . 0.0 113.087 -148.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.318 13.9 tp10 -83.19 156.8 23.01 Favored 'General case' 0 C--O 1.172 -2.982 1 CA-C-N 125.812 4.806 . . . . 0.0 110.858 171.37 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 1 O-C-N 114.848 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmt . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 126.366 2.984 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.0 165.97 19.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 111.4 -2.637 . . . . 0.0 112.159 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -84.11 134.39 34.59 Favored 'General case' 0 CA--C 1.461 -2.473 0 C-N-CA 124.29 1.036 . . . . 0.0 113.253 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -147.54 129.65 15.5 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 123.727 1.727 . . . . 0.0 109.126 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.306 44.2 tttm -125.51 115.75 25.12 Favored Pre-proline 0 N--CA 1.493 1.707 0 CA-C-N 111.565 -2.561 . . . . 0.0 116.638 162.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.24 155.63 55.57 Favored 'Trans proline' 0 CA--C 1.501 -1.148 0 O-C-N 125.141 2.127 . . . . 0.0 111.992 164.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -44.37 142.36 1.58 Allowed 'General case' 0 N--CA 1.523 3.217 0 O-C-N 118.861 -2.4 . . . . 0.0 111.765 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.6 127.3 31.36 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 125.561 2.601 . . . . 0.0 112.503 164.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.92 -28.58 8.18 Favored Glycine 0 N--CA 1.479 1.555 0 CA-C-O 115.022 -3.099 . . . . 0.0 113.478 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.81 126.61 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 122.733 3.267 . . . . 0.0 111.094 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.303 74.3 tttt -153.25 151.68 30.32 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 124.297 0.998 . . . . 0.0 109.727 166.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -42.12 -40.78 2.43 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 165.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.22 -8.82 56.89 Favored 'General case' 0 CA--C 1.612 3.341 0 O-C-N 119.11 -2.244 . . . . 0.0 115.972 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.33 1.49 11.44 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-N 120.806 1.639 . . . . 0.0 110.805 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -77.5 135.02 38.19 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 112.96 -1.927 . . . . 0.0 114.4 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.281 33.4 m-20 -72.05 133.14 45.1 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -73.76 150.97 40.78 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 161.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.419 HG23 HG13 ' B' ' 34' ' ' ILE . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.544 HD12 HD11 ' B' ' 34' ' ' ILE . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.544 HD11 HD12 ' B' ' 20' ' ' LEU . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.425 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' ' HG ' ' B' ' 53' ' ' LEU . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 51' ' ' GLN . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -133.52 147.58 51.62 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.64 151.41 51.03 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.004 -2.31 . . . . 0.0 106.761 171.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 135.33 54.03 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.659 -2.519 . . . . 0.0 109.951 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 45.28 -132.04 8.66 Favored Glycine 0 CA--C 1.577 3.919 0 C-N-CA 126.819 2.152 . . . . 0.0 115.19 -163.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.43 -164.12 35.74 Favored Glycine 0 C--N 1.389 3.497 0 CA-C-O 127.098 3.61 . . . . 0.0 108.821 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 78.4 t -107.46 87.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 118.413 -2.816 . . . . 0.0 108.77 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.272 2.247 0 C-N-CA 126.694 1.998 . . . . 0.0 115.528 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.8 -26.38 25.8 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 119.094 -2.254 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH22 ' B' ' 50' ' ' ARG 0.428 3.2 t0 -69.78 0.43 5.69 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 161.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt -147.97 148.74 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -154.53 61.61 0.68 Allowed 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 125.099 2.38 . . . . 0.0 107.08 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -150.81 165.43 33.57 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 129.9 3.28 . . . . 0.0 112.948 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.49 151.02 23.97 Favored Glycine 0 C--N 1.294 -1.766 1 CA-C-O 127.824 4.013 . . . . 0.0 111.656 -158.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.65 147.66 37.38 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 118.253 -2.91 . . . . 0.0 106.165 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.26 149.03 48.96 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 112.258 -2.247 . . . . 0.0 110.753 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.07 115.13 16.59 Favored 'General case' 0 CA--C 1.608 3.188 0 CA-C-O 126.044 2.831 . . . . 0.0 106.383 159.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -141.16 134.7 29.97 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 116.54 -3.85 . . . . 0.0 111.252 -166.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -155.66 104.33 2.16 Favored Pre-proline 0 C--N 1.281 -2.394 0 C-N-CA 129.376 3.07 . . . . 0.0 109.481 165.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -63.93 156.11 60.28 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 124.044 3.162 . . . . 0.0 116.701 -160.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -80.78 122.15 26.81 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 119.045 -2.284 . . . . 0.0 109.742 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -84.89 153.68 22.73 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 119.457 -2.027 . . . . 0.0 109.104 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.36 9.99 6.85 Favored Glycine 0 N--CA 1.512 3.707 0 CA-C-O 117.135 -1.925 . . . . 0.0 116.313 -169.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 94.7 t -131.83 113.62 22.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.645 2.378 . . . . 0.0 114.452 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HE3' ' CG ' ' B' ' 13' ' ' GLU . 24.6 tttp -156.99 137.05 12.64 Favored 'General case' 0 N--CA 1.517 2.906 1 C-N-CA 131.934 4.094 . . . . 0.0 113.229 177.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -67.79 -30.48 69.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.259 -2.15 . . . . 0.0 109.493 -166.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' CG ' ' HE3' ' B' ' 11' ' ' LYS . 17.9 mm-40 -72.19 -39.71 68.44 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.337 1.648 . . . . 0.0 110.225 -166.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -91.58 1.5 57.1 Favored 'General case' 0 CA--C 1.584 2.262 0 CA-C-O 125.362 2.506 . . . . 0.0 115.615 -170.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -65.22 151.61 45.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.489 3.115 . . . . 0.0 110.942 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -74.18 119.51 18.49 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 113.243 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -60.1 162.35 5.88 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 120.149 1.341 . . . . 0.0 110.498 164.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' B' ' 72' ' ' THR . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.413 HH22 ' CG ' ' A' ' 38' ' ' ASP . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.503 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.503 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.464 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -95.68 158.37 15.48 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . 0.29 10.3 mp0 -147.51 143.17 27.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.443 2.697 . . . . 0.0 114.197 166.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -148.1 147.72 29.84 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 168.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.09 139.73 10.86 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 127.458 2.456 . . . . 0.0 110.307 -172.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.13 -177.13 31.93 Favored Glycine 0 N--CA 1.418 -2.516 0 C-N-CA 127.583 2.516 . . . . 0.0 111.542 148.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.37 139.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 O-C-N 118.783 -2.599 . . . . 0.0 111.11 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 126.045 1.738 . . . . 0.0 112.614 172.389 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -53.91 -34.6 60.04 Favored 'General case' 0 C--N 1.295 -1.804 1 O-C-N 116.279 -4.013 . . . . 0.0 111.746 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -81.22 -7.6 59.6 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt -144.06 143.78 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -143.5 30.34 1.37 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 -165.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -125.57 126.87 45.48 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 129.585 3.154 . . . . 0.0 107.988 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.64 168.72 39.35 Favored Glycine 0 N--CA 1.504 3.178 0 CA-C-O 122.505 1.058 . . . . 0.0 112.435 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.344 6.1 tp10 -127.85 173.49 9.93 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 126.684 1.994 . . . . 0.0 108.601 142.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 114.413 -1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.1 156.32 25.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.116 -2.24 . . . . 0.0 112.072 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -54.26 33.26 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.063 3.745 . . . . 0.0 116.292 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.01 139.63 36.89 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 130.358 3.463 . . . . 0.0 108.856 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -148.18 145.95 22.03 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 174.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.95 136.74 20.91 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 CA-C-O 114.372 -2.428 . . . . 0.0 111.231 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -105.47 138.78 41.1 Favored 'General case' 0 C--N 1.279 -2.498 1 C-N-CA 135.258 5.423 . . . . 0.0 114.917 173.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.95 159.2 42.71 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.693 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.11 2.28 2.25 Favored Glycine 0 CA--C 1.492 -1.39 0 N-CA-C 120.108 2.803 . . . . 0.0 120.108 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 t -71.81 48.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.794 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -145.16 150.08 36.12 Favored 'General case' 0 C--N 1.403 2.935 0 C-N-CA 117.953 -1.499 . . . . 0.0 110.011 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -53.3 -51.01 63.69 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 125.268 2.461 . . . . 0.0 112.689 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.21 6.34 1.73 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.216 -1.811 . . . . 0.0 114.61 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -138.44 22.16 2.74 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 128.559 2.743 . . . . 0.0 112.88 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.87 153.11 21.31 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 117.113 -3.492 . . . . 0.0 110.206 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -71.95 127.69 33.36 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 111.253 -2.703 . . . . 0.0 110.422 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.562 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 -77.21 161.03 28.49 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 126.647 1.979 . . . . 0.0 116.29 152.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.562 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 40' ' ' LEU 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -123.93 151.71 43.27 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -98.32 168.7 10.06 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 121.947 2.158 . . . . 0.0 114.035 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -97.1 -20.37 18.05 Favored 'General case' 1 C--O 1.151 -4.084 0 O-C-N 118.333 -2.729 . . . . 0.0 114.27 162.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.27 177.83 22.64 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 117.038 1.575 . . . . 0.0 117.038 157.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.17 -121.77 1.93 Allowed Glycine 0 C--O 1.211 -1.341 0 CA-C-N 119.825 1.812 . . . . 0.0 110.655 -165.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.53 140.12 17.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.536 0 CA-C-N 120.49 2.145 . . . . 0.0 113.04 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--N 1.392 2.431 0 O-C-N 124.868 1.355 . . . . 0.0 110.707 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . 0.327 12.5 tp10 -49.73 -34.8 19.97 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 125.562 1.788 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.269 30.3 t70 -110.5 15.48 22.1 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 128.254 2.622 . . . . 0.0 110.285 -174.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.62 136.17 43.55 Favored 'Isoleucine or valine' 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SEP . . . . . 0.486 ' O ' ' HE3' ' B' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -122.78 -38.83 2.58 Favored 'General case' 0 C--N 1.401 2.822 1 O-C-N 115.978 -4.201 . . . . 0.0 112.684 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -128.61 133.26 48.26 Favored 'General case' 0 CA--C 1.589 2.462 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.98 -162.4 30.06 Favored Glycine 0 C--N 1.359 1.814 0 O-C-N 126.615 2.447 . . . . 0.0 107.83 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -153.59 120.0 5.52 Favored 'General case' 0 C--O 1.256 1.442 1 CA-C-N 108.094 -4.053 . . . . 0.0 113.723 -168.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.604 0 CA-C-N 115.688 -0.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mmm . . . . . 0 N--CA 1.5 2.045 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.12 166.25 9.9 Favored 'General case' 0 N--CA 1.493 1.701 1 CA-C-O 129.092 4.282 . . . . 0.0 112.551 171.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.21 116.08 18.4 Favored 'General case' 0 CA--C 1.578 2.04 0 O-C-N 118.165 -2.834 . . . . 0.0 112.143 163.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -145.32 159.09 43.57 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 124.868 2.27 . . . . 0.0 111.159 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -141.26 144.89 36.12 Favored Pre-proline 0 C--O 1.209 -1.076 1 C-N-CA 134.506 5.122 . . . . 0.0 111.738 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.44 137.01 78.78 Favored 'Trans proline' 0 C--O 1.278 2.478 0 C-N-CA 122.633 2.222 . . . . 0.0 111.84 162.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -85.42 114.94 22.84 Favored 'General case' 0 CA--C 1.458 -2.581 0 C-N-CA 130.033 3.333 . . . . 0.0 110.957 -174.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -161.91 136.33 6.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 118.683 -2.51 . . . . 0.0 113.495 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.8 28.09 2.87 Favored Glycine 0 CA--C 1.563 3.056 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -78.76 61.67 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -153.3 145.98 24.26 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 114.786 -2.531 . . . . 0.0 111.513 -171.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -55.59 -31.28 62.09 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.719 2.408 . . . . 0.0 115.152 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.16 -15.14 62.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 128.411 2.685 . . . . 0.0 110.116 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -105.05 -10.04 17.44 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.348 -2.095 . . . . 0.0 113.374 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -66.87 153.99 42.06 Favored 'General case' 0 C--N 1.384 2.084 0 O-C-N 117.523 -3.236 . . . . 0.0 113.618 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.2 136.24 56.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -171.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -67.74 169.34 9.73 Favored 'General case' 0 CA--C 1.611 3.327 0 O-C-N 126.503 2.377 . . . . 0.0 107.913 156.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.419 HG21 HD21 ' B' ' 43' ' ' LEU . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 44' ' ' SEP . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.419 HD21 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.462 HG21 HD13 ' B' ' 58' ' ' ILE 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -124.43 137.63 54.43 Favored 'General case' 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -94.16 158.53 15.56 Favored 'General case' 0 C--O 1.276 2.468 0 O-C-N 127.823 3.202 . . . . 0.0 107.983 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.3 p -98.8 19.18 15.34 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.713 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.1 -168.87 21.4 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-O 115.471 -2.85 . . . . 0.0 113.27 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.79 166.01 12.47 Favored Glycine 0 N--CA 1.417 -2.57 0 O-C-N 126.788 2.111 . . . . 0.0 110.935 -163.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.58 113.44 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 C-N-CA 124.798 1.239 . . . . 0.0 109.913 168.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.507 2.4 0 CA-C-O 114.885 -2.483 . . . . 0.0 111.996 -174.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -77.02 -42.87 36.84 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 124.192 0.933 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -136.57 68.08 1.44 Allowed 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.762 2.425 . . . . 0.0 116.134 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt -128.72 142.09 44.86 Favored 'Isoleucine or valine' 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.86 -7.22 56.38 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 118.001 -2.937 . . . . 0.0 113.536 -166.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -121.67 165.44 15.76 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 127.052 2.141 . . . . 0.0 112.293 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 -173.43 54.83 Favored Glycine 0 N--CA 1.418 -2.539 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -78.26 160.47 27.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.826 3.203 . . . . 0.0 112.125 175.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.347 1 O-C-N 115.043 -4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.18 157.09 35.13 Favored 'General case' 0 C--O 1.281 2.737 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.08 67.44 3.91 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 124.191 0.932 . . . . 0.0 111.413 159.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -138.2 113.21 9.19 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-O 124.103 1.906 . . . . 0.0 111.244 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.273 74.5 tttt -72.8 125.35 91.21 Favored Pre-proline 0 C--N 1.39 2.355 0 C-N-CA 128.376 2.67 . . . . 0.0 106.864 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -63.86 148.68 91.75 Favored 'Trans proline' 0 N--CA 1.415 -3.131 0 C-N-CA 121.981 1.787 . . . . 0.0 113.613 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -68.31 132.93 47.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.707 2.003 . . . . 0.0 108.832 -164.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.65 131.27 12.28 Favored 'General case' 0 N--CA 1.506 2.339 1 C-N-CA 134.418 5.087 . . . . 0.0 111.113 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.11 15.82 15.11 Favored Glycine 0 N--CA 1.41 -3.09 0 CA-C-N 120.945 1.702 . . . . 0.0 114.895 -161.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 t -79.94 77.59 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.937 0 CA-C-N 118.482 1.141 . . . . 0.0 111.135 -160.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.082 1.353 . . . . 0.0 110.757 166.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -73.44 -26.66 61.04 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 131.246 3.818 . . . . 0.0 116.923 172.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.53 -27.63 67.78 Favored 'General case' 0 CA--C 1.586 2.335 0 C-N-CA 123.616 0.766 . . . . 0.0 111.432 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -79.07 -4.9 52.49 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.652 2.093 . . . . 0.0 116.652 -172.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.01 134.74 53.53 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 118.688 -2.507 . . . . 0.0 108.517 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.58 137.96 57.72 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 118.754 -2.466 . . . . 0.0 113.08 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 -56.55 165.49 1.12 Allowed 'General case' 0 C--N 1.373 1.623 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 162.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 42' ' ' LYS . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 39' ' ' PRO . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 43' ' ' LEU . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' B' ' 72' ' ' THR . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -129.21 148.23 51.12 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -115.76 168.64 9.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 127.901 3.25 . . . . 0.0 108.925 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 40.9 p -70.85 -44.57 66.15 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 128.396 2.678 . . . . 0.0 109.998 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.59 -171.46 33.62 Favored Glycine 0 CA--C 1.554 2.501 0 CA-C-O 118.023 -1.431 . . . . 0.0 115.956 -169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.75 158.16 44.49 Favored Glycine 1 N--CA 1.524 4.557 0 CA-C-N 121.231 2.516 . . . . 0.0 113.281 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 119.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.768 0 O-C-N 120.997 -1.296 . . . . 0.0 110.905 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 . . . . . 0 C--O 1.197 -1.67 0 O-C-N 118.293 -2.755 . . . . 0.0 109.832 -164.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.891 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.99 -22.13 62.17 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.03 4.93 10.4 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 127.747 2.419 . . . . 0.0 112.666 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -134.69 135.15 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -94.58 4.8 53.4 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-N 118.505 0.593 . . . . 0.0 109.991 -171.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.86 160.17 18.29 Favored 'General case' 0 N--CA 1.403 -2.819 0 O-C-N 120.941 -1.1 . . . . 0.0 109.013 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -147.64 23.09 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 127.262 2.363 . . . . 0.0 111.25 172.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.77 125.95 23.48 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 127.484 2.314 . . . . 0.0 116.48 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.179 0 O-C-N 121.243 -0.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.0 mtp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.5 144.9 50.29 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 125.887 2.756 . . . . 0.0 112.547 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -96.45 50.99 1.16 Allowed 'General case' 0 C--O 1.168 -3.233 0 CA-C-O 124.186 1.946 . . . . 0.0 109.948 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.36 126.58 31.0 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-N 112.62 -2.082 . . . . 0.0 113.032 -166.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -68.0 135.35 91.83 Favored Pre-proline 0 CA--C 1.571 1.751 0 CA-C-O 116.008 -1.949 . . . . 0.0 110.746 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.47 129.25 19.75 Favored 'Trans proline' 0 N--CA 1.51 2.467 0 C-N-CA 123.635 2.89 . . . . 0.0 110.769 168.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.2 126.53 29.86 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 127.324 2.25 . . . . 0.0 114.307 171.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -132.29 157.09 45.31 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 126.968 2.668 . . . . 0.0 114.75 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.9 4.49 30.19 Favored Glycine 1 CA--C 1.447 -4.175 0 C-N-CA 129.745 3.545 . . . . 0.0 114.246 -171.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.57 55.66 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 120.073 1.936 . . . . 0.0 107.635 -169.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.57 121.53 18.83 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 129.331 3.053 . . . . 0.0 113.714 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -45.71 -27.82 0.89 Allowed 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.379 -2.075 . . . . 0.0 114.916 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.21 -5.94 2.72 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 124.084 3.129 . . . . 0.0 116.43 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.96 4.95 52.27 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 123.537 1.637 . . . . 0.0 113.616 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -77.12 144.07 38.72 Favored 'General case' 0 N--CA 1.524 3.269 0 CA-C-O 125.203 2.43 . . . . 0.0 107.152 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.08 134.79 42.96 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 119.078 -2.264 . . . . 0.0 108.18 -166.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.9 144.09 50.76 Favored 'General case' 0 CA--C 1.581 2.171 0 O-C-N 121.848 -0.532 . . . . 0.0 109.803 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.492 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.492 ' HB3' ' H ' ' B' ' 72' ' ' THR . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLN . . . . . 0.409 ' HB3' HE22 ' B' ' 90' ' ' GLN . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -112.42 114.91 27.87 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLN . . . . . 0.409 HE22 ' HB3' ' B' ' 88' ' ' GLN . 6.2 mp0 -98.5 153.61 18.49 Favored 'General case' 0 C--O 1.197 -1.658 0 CA-C-N 111.954 -2.385 . . . . 0.0 109.326 -169.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 24.0 p -65.73 -18.1 65.09 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 173.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.44 -175.19 21.41 Favored Glycine 0 N--CA 1.506 3.334 0 O-C-N 117.647 -3.158 . . . . 0.0 111.946 -168.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.91 150.42 39.35 Favored Glycine 0 N--CA 1.413 -2.834 0 CA-C-O 126.242 3.135 . . . . 0.0 114.768 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.91 133.24 32.21 Favored 'Isoleucine or valine' 0 C--N 1.41 3.229 0 O-C-N 118.553 -2.734 . . . . 0.0 110.644 159.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 N--CA 1.537 3.883 0 C-N-CA 128.544 2.738 . . . . 0.0 111.419 -173.222 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -73.28 -9.94 59.23 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.64 17.56 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 173.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -146.46 137.91 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.5 -11.93 52.99 Favored 'General case' 0 C--O 1.18 -2.578 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -140.86 134.08 29.56 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 125.805 2.717 . . . . 0.0 110.32 -165.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.75 -123.91 29.75 Favored Glycine 0 N--CA 1.494 2.555 1 O-C-N 115.512 -4.493 . . . . 0.0 111.029 171.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.68 128.21 35.91 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.416 1.886 . . . . 0.0 112.211 174.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 O-C-N 119.585 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.418 -2.049 0 CA-C-O 114.29 -2.767 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.59 166.36 19.28 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 130.967 3.707 . . . . 0.0 118.394 -164.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -167.08 47.29 0.06 Allowed 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.988 2.328 . . . . 0.0 111.018 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.35 137.83 56.93 Favored 'General case' 0 N--CA 1.404 -2.756 1 O-C-N 115.443 -4.536 . . . . 0.0 109.217 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -72.4 120.48 80.74 Favored Pre-proline 0 N--CA 1.528 3.43 0 CA-C-O 116.308 -1.806 . . . . 0.0 106.406 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -78.4 144.06 20.01 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.568 2.178 . . . . 0.0 112.453 -171.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.74 127.42 28.21 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-N 113.327 -1.761 . . . . 0.0 114.187 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 149.83 24.74 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 150.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.89 -0.66 25.67 Favored Glycine 0 CA--C 1.455 -3.667 0 CA-C-N 112.843 -1.981 . . . . 0.0 115.58 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.11 128.81 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 161.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.259 60.7 tttt -165.28 154.0 12.0 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 125.743 1.617 . . . . 0.0 106.731 -171.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 p -67.31 -39.32 85.91 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -58.4 -32.92 69.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 113.919 -2.943 . . . . 0.0 113.038 173.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -76.41 11.65 1.51 Allowed 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.35 156.5 36.32 Favored 'General case' 0 N--CA 1.39 -3.473 0 CA-C-N 113.671 -1.604 . . . . 0.0 115.019 167.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.14 147.69 26.7 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 126.0 1.72 . . . . 0.0 108.688 -159.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 -85.14 158.73 20.31 Favored 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.062 2.145 . . . . 0.0 113.891 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.639 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' B' ' 40' ' ' LEU . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 66' ' ' PRO . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 65' ' ' GLN . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' THR . . . . . 0.607 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.607 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -81.13 147.07 30.23 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.38 160.67 26.29 Favored 'General case' 0 C--O 1.189 -2.099 0 O-C-N 120.426 -1.421 . . . . 0.0 110.568 162.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.4 p -103.52 -40.69 6.23 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 128.805 2.842 . . . . 0.0 110.548 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.76 144.74 11.0 Favored Glycine 1 N--CA 1.522 4.393 0 CA-C-O 123.89 1.828 . . . . 0.0 115.053 -174.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.24 126.41 40.14 Favored Glycine 0 N--CA 1.507 3.421 0 O-C-N 116.936 -3.684 . . . . 0.0 113.996 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 t -48.85 116.81 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.552 0 C-N-CA 128.265 2.626 . . . . 0.0 115.31 -172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.312 -1.048 0 O-C-N 128.368 3.543 . . . . 0.0 113.86 162.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -72.3 -21.77 61.29 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 127.755 3.159 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 -155.55 40.29 0.4 Allowed 'General case' 0 C--O 1.258 1.515 0 C-N-CA 126.636 1.974 . . . . 0.0 115.698 -170.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.415 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' PHE . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt -152.39 125.54 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -106.72 10.76 30.82 Favored 'General case' 0 CA--C 1.622 3.713 0 C-N-CA 116.847 -1.941 . . . . 0.0 115.258 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.28 144.37 57.0 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.108 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.74 162.83 33.79 Favored Glycine 0 N--CA 1.511 3.655 1 O-C-N 114.63 -5.043 . . . . 0.0 114.399 155.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -57.58 157.93 6.5 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.198 2.999 . . . . 0.0 111.19 160.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.884 0 CA-C-N 114.528 -1.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 CA--C 1.595 2.684 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.85 23.37 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -164.28 152.11 12.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.809 -1.807 . . . . 0.0 115.418 168.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.24 141.79 22.6 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 124.107 0.963 . . . . 0.0 109.821 -169.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -47.3 130.99 9.87 Favored Pre-proline 0 N--CA 1.508 2.47 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.52 141.71 56.52 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 C-N-CA 122.306 2.004 . . . . 0.0 110.412 -173.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.1 131.62 51.12 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 124.159 1.933 . . . . 0.0 109.048 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.68 149.45 32.87 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.64 3.176 . . . . 0.0 109.535 166.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.75 -22.26 3.36 Favored Glycine 0 CA--C 1.563 3.06 0 O-C-N 126.176 2.173 . . . . 0.0 116.099 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.81 101.79 7.01 Favored 'Isoleucine or valine' 0 C--O 1.281 2.718 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -150.97 149.41 29.57 Favored 'General case' 0 N--CA 1.526 3.334 0 O-C-N 126.53 2.394 . . . . 0.0 113.413 167.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -49.34 -39.85 33.18 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 124.135 0.897 . . . . 0.0 112.821 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -59.58 -18.94 45.19 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 127.816 2.446 . . . . 0.0 117.282 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -96.66 12.53 31.46 Favored 'General case' 0 N--CA 1.419 -2.009 0 O-C-N 117.079 -3.513 . . . . 0.0 113.846 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.37 138.35 58.38 Favored 'General case' 0 N--CA 1.427 -1.621 0 O-C-N 118.748 -2.47 . . . . 0.0 107.927 163.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -76.81 143.22 39.93 Favored 'General case' 0 N--CA 1.482 1.142 1 C-N-CA 133.446 4.698 . . . . 0.0 109.048 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 -72.98 161.73 30.34 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 119.928 -1.732 . . . . 0.0 110.324 173.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.495 ' HB2' HG22 ' B' ' 29' ' ' VAL . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.495 HG22 ' HB2' ' B' ' 23' ' ' ALA . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 39' ' ' ALA . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -100.1 137.9 37.9 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -122.21 112.04 17.68 Favored 'General case' 0 C--O 1.193 -1.883 0 C-N-CA 128.46 2.704 . . . . 0.0 105.919 -168.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -61.91 -25.67 67.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 119.378 3.103 . . . . 0.0 119.378 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.33 169.96 22.97 Favored Glycine 0 CA--C 1.475 -2.408 0 CA-C-O 124.924 2.402 . . . . 0.0 116.072 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.18 -166.34 2.07 Favored Glycine 0 C--O 1.209 -1.465 0 O-C-N 118.747 -2.62 . . . . 0.0 112.531 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -143.09 135.68 24.97 Favored 'Isoleucine or valine' 0 C--O 1.277 2.522 0 O-C-N 118.016 -3.049 . . . . 0.0 111.795 -166.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 119.931 1.242 . . . . 0.0 113.415 -178.231 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.49 -24.42 66.58 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 -127.05 25.14 6.28 Favored 'General case' 0 C--O 1.16 -3.607 0 C-N-CA 129.253 3.021 . . . . 0.0 116.65 176.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt -149.41 145.2 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -68.6 -44.21 74.8 Favored 'General case' 0 N--CA 1.521 3.089 0 O-C-N 127.626 3.079 . . . . 0.0 109.13 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -73.21 125.74 28.45 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.601 1.188 . . . . 0.0 109.795 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.83 -168.07 54.24 Favored Glycine 0 C--O 1.251 1.186 0 CA-C-O 122.371 0.984 . . . . 0.0 111.567 159.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -50.47 139.28 15.88 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.48 0 O-C-N 118.687 -2.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 127.09 30.19 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 128.949 3.906 . . . . 0.0 115.333 171.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -130.4 162.58 28.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.736 1.731 . . . . 0.0 112.207 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -147.43 133.15 18.91 Favored 'General case' 0 C--O 1.266 1.924 0 O-C-N 118.003 -2.936 . . . . 0.0 108.585 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -73.94 127.57 87.99 Favored Pre-proline 0 C--N 1.375 1.71 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 165.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -79.05 150.42 23.15 Favored 'Trans proline' 0 C--O 1.251 1.165 0 CA-C-O 126.679 2.7 . . . . 0.0 110.317 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.54 144.23 14.02 Favored 'General case' 0 CA--C 1.565 1.536 1 C-N-CA 133.719 4.808 . . . . 0.0 114.872 -179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.39 177.49 9.4 Favored 'General case' 0 C--O 1.21 -1.014 1 O-C-N 115.069 -4.769 . . . . 0.0 111.208 -174.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.36 20.24 0.05 OUTLIER Glycine 1 C--N 1.4 4.084 0 CA-C-O 115.251 -2.971 . . . . 0.0 118.531 -166.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.1 87.01 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 C-N-CA 115.034 -2.666 . . . . 0.0 110.612 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -163.28 121.34 1.96 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.972 1.709 . . . . 0.0 106.389 -166.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.3 p -60.08 -30.42 69.21 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 123.908 3.049 . . . . 0.0 114.31 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -47.69 -21.1 0.33 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 170.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -81.74 4.54 21.58 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.26 148.04 47.58 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.458 -1.401 . . . . 0.0 111.61 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.45 137.91 54.84 Favored 'General case' 0 CA--C 1.602 2.972 0 C-N-CA 129.345 3.058 . . . . 0.0 112.707 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.435 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 -72.4 141.99 48.7 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 127.573 2.349 . . . . 0.0 112.391 170.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.541 ' CD2' HG22 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.506 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -97.45 99.39 10.81 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.11 135.73 55.86 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 129.105 2.962 . . . . 0.0 114.213 -170.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 21.3 p -84.76 -17.8 37.11 Favored 'General case' 0 N--CA 1.517 2.891 0 C-N-CA 116.737 -1.985 . . . . 0.0 109.591 -163.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 -169.02 54.92 Favored Glycine 0 CA--C 1.488 -1.646 0 CA-C-O 125.971 2.984 . . . . 0.0 115.218 -167.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.18 -169.81 46.32 Favored Glycine 1 N--CA 1.521 4.336 1 O-C-N 115.838 -4.33 . . . . 0.0 116.414 -168.223 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.2 t -132.99 109.62 14.38 Favored 'Isoleucine or valine' 0 C--O 1.261 1.672 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.574 1.888 0 C-N-CA 126.756 2.022 . . . . 0.0 112.35 -176.778 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.518 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -70.4 2.64 3.65 Favored 'General case' 0 C--O 1.264 1.865 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.54 1.43 3.72 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 168.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' B' ' 34' ' ' ILE . 67.2 mt -142.31 147.72 20.98 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.31 -20.09 40.22 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 119.141 -2.224 . . . . 0.0 113.732 -173.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.93 154.79 38.36 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 124.087 1.898 . . . . 0.0 115.382 163.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.68 -174.87 55.15 Favored Glycine 0 N--CA 1.409 -3.14 0 O-C-N 117.17 -3.456 . . . . 0.0 117.825 -172.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -127.97 118.1 22.93 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.016 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 CA--C 1.611 3.294 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 159.88 10.9 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.896 1.372 . . . . 0.0 113.081 165.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -129.03 149.85 50.68 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.522 1.129 . . . . 0.0 110.291 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.291 35.6 tt0 -131.34 131.51 43.78 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.74 2.416 . . . . 0.0 114.655 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -37.86 133.12 0.87 Allowed Pre-proline 0 N--CA 1.503 2.186 0 CA-C-O 112.563 -3.589 . . . . 0.0 115.689 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -81.55 170.22 14.65 Favored 'Trans proline' 0 N--CA 1.525 3.376 0 CA-C-N 123.592 2.319 . . . . 0.0 113.404 -172.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -57.99 134.54 56.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.859 2.864 . . . . 0.0 115.192 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -148.94 157.09 43.16 Favored 'General case' 0 N--CA 1.521 3.08 0 CA-C-O 117.167 -1.397 . . . . 0.0 108.438 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.45 39.6 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 O-C-N 125.658 1.849 . . . . 0.0 115.023 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.22 91.88 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.384 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.569 166.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -151.33 137.98 18.78 Favored 'General case' 0 CA--C 1.591 2.531 0 C-N-CA 127.626 2.37 . . . . 0.0 116.06 169.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -44.01 -43.26 6.59 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 120.905 -1.122 . . . . 0.0 113.838 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.78 -22.46 64.13 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -82.62 -4.67 58.07 Favored 'General case' 0 CA--C 1.598 2.801 0 N-CA-C 120.679 3.585 . . . . 0.0 120.679 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.11 163.41 3.67 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 122.265 1.031 . . . . 0.0 109.595 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -89.25 156.35 18.81 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -79.0 157.33 28.13 Favored 'General case' 0 C--O 1.269 2.13 0 O-C-N 127.53 3.019 . . . . 0.0 112.251 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.438 HD13 HG21 ' B' ' 34' ' ' ILE . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -80.25 132.39 35.84 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -69.97 152.08 44.86 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 127.414 2.285 . . . . 0.0 111.984 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.9 p -116.96 -43.66 2.86 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 128.468 2.707 . . . . 0.0 106.124 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.04 -161.57 49.63 Favored Glycine 0 N--CA 1.406 -3.36 0 O-C-N 118.881 -2.387 . . . . 0.0 116.813 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.54 -163.17 26.02 Favored Glycine 0 C--N 1.369 2.384 0 CA-C-O 127.545 3.858 . . . . 0.0 116.782 -166.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.4 t -152.56 114.74 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 110.878 -2.661 . . . . 0.0 107.394 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 CA--C 1.598 2.798 0 CA-C-O 113.116 -3.325 . . . . 0.0 110.532 171.5 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -63.97 -30.84 71.89 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.444 1.897 . . . . 0.0 115.347 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -145.23 22.54 1.52 Allowed 'General case' 0 N--CA 1.525 3.319 0 C-N-CA 125.921 1.689 . . . . 0.0 112.1 -168.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt -134.02 144.76 34.59 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -108.78 -17.49 13.93 Favored 'General case' 0 CA--C 1.56 1.349 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -166.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -63.07 95.74 0.09 Allowed 'General case' 0 C--O 1.277 2.532 0 C-N-CA 115.264 -2.574 . . . . 0.0 114.116 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.05 154.13 27.53 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 106.874 -2.49 . . . . 0.0 106.874 163.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.311 3.7 tp10 -68.01 -37.05 80.97 Favored 'General case' 0 CA--C 1.44 -3.272 0 O-C-N 118.282 -2.893 . . . . 0.0 109.767 170.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.12 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.529 3.483 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 148.53 37.14 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 120.594 1.543 . . . . 0.0 114.523 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -141.2 161.73 37.18 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 127.894 2.478 . . . . 0.0 107.089 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.73 154.51 19.09 Favored 'General case' 0 N--CA 1.511 2.589 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -72.29 119.68 76.16 Favored Pre-proline 0 C--N 1.381 1.978 0 C-N-CA 126.954 2.102 . . . . 0.0 112.9 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 142.12 35.16 Favored 'Trans proline' 0 C--N 1.372 1.8 0 CA-C-N 121.163 1.451 . . . . 0.0 113.49 -171.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -77.07 140.36 40.28 Favored 'General case' 0 C--O 1.27 2.145 0 O-C-N 127.475 2.985 . . . . 0.0 115.213 -167.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -145.32 2.94 1.0 Allowed 'General case' 0 C--O 1.191 -1.988 0 O-C-N 126.319 2.262 . . . . 0.0 109.659 -155.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.53 53.06 0.05 OUTLIER Glycine 0 CA--C 1.546 1.98 0 N-CA-C 120.269 2.867 . . . . 0.0 120.269 -171.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 99.89 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.395 0 O-C-N 118.583 -2.716 . . . . 0.0 104.739 155.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.533 ' HG2' ' H ' ' B' ' 13' ' ' GLU . 78.0 tttt -161.69 143.8 11.63 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 120.209 1.368 . . . . 0.0 109.976 -169.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.9 p -73.31 -15.98 61.38 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 123.883 1.801 . . . . 0.0 111.334 -174.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 64.8 mm-40 -73.54 -24.43 60.12 Favored 'General case' 1 CA--C 1.632 4.133 1 O-C-N 116.111 -4.118 . . . . 0.0 109.695 175.889 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -80.73 2.17 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 120.575 3.546 . . . . 0.0 120.575 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -73.96 146.35 43.97 Favored 'General case' 0 C--O 1.276 2.458 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.375 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.284 33.1 m-20 -94.46 157.39 16.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.658 -1.217 . . . . 0.0 112.22 -171.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 -76.76 173.97 11.03 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 129.765 3.226 . . . . 0.0 111.293 -164.07 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' B' ' 34' ' ' ILE . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.624 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' B' ' 20' ' ' LEU . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.449 HD13 HG21 ' B' ' 67' ' ' ILE . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.449 HG21 HD13 ' B' ' 40' ' ' LEU . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -71.37 122.85 21.07 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.74 159.63 13.22 Favored 'General case' 0 C--O 1.194 -1.835 0 C-N-CA 126.567 1.947 . . . . 0.0 107.794 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.8 p -100.66 -40.94 7.13 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 117.036 -3.54 . . . . 0.0 112.209 170.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.74 -138.79 49.05 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-O 115.7 -2.722 . . . . 0.0 117.702 -164.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.39 173.58 44.3 Favored Glycine 0 C--O 1.191 -2.539 0 CA-C-N 121.777 2.789 . . . . 0.0 118.666 -165.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 21.1 t -124.39 149.28 28.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.381 0 C-N-CA 127.923 2.489 . . . . 0.0 111.179 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 128.265 2.626 . . . . 0.0 115.039 -151.003 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.65 -28.91 68.93 Favored 'General case' 0 N--CA 1.526 3.325 0 CA-C-O 125.891 2.758 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -143.27 19.67 1.91 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.604 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.16 140.41 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -109.92 -32.83 6.9 Favored 'General case' 0 CA--C 1.593 2.616 0 CA-C-N 121.277 1.853 . . . . 0.0 113.001 -167.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -102.4 98.07 8.23 Favored 'General case' 0 C--O 1.197 -1.689 0 C-N-CA 128.921 2.888 . . . . 0.0 112.363 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.29 -168.18 34.7 Favored Glycine 0 C--O 1.199 -2.075 0 O-C-N 127.65 3.094 . . . . 0.0 111.086 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -122.6 -52.37 1.92 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.8 2.04 . . . . 0.0 107.367 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.249 0 O-C-N 122.04 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 CA--C 1.491 -1.289 0 CA-C-O 124.389 2.042 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.05 158.48 19.82 Favored 'General case' 0 N--CA 1.517 2.919 0 O-C-N 118.193 -2.817 . . . . 0.0 115.543 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.92 146.26 46.82 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 111.562 -2.563 . . . . 0.0 109.511 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -68.74 128.28 36.09 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 121.496 1.953 . . . . 0.0 110.663 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -80.99 114.54 49.46 Favored Pre-proline 0 C--O 1.212 -0.891 0 CA-C-O 112.813 -3.47 . . . . 0.0 111.711 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -66.51 142.21 64.2 Favored 'Trans proline' 0 CA--C 1.489 -1.735 0 C-N-CA 125.05 3.833 . . . . 0.0 113.71 -172.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -82.97 88.58 6.84 Favored 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 126.333 1.853 . . . . 0.0 111.965 169.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -159.2 -16.07 0.06 Allowed 'General case' 0 CA--C 1.451 -2.858 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 117.38 5.13 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 103.757 -3.737 . . . . 0.0 103.757 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.95 122.7 30.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 CA-C-N 113.002 -1.599 . . . . 0.0 108.977 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -134.68 145.71 48.79 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -69.21 -18.98 63.96 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 124.03 1.871 . . . . 0.0 114.612 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.09 -20.04 56.22 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 116.675 -1.631 . . . . 0.0 113.284 164.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -88.72 -0.2 57.08 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 116.422 -1.751 . . . . 0.0 110.789 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.301 0.8 OUTLIER -81.49 142.04 33.27 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-N 122.813 2.551 . . . . 0.0 111.651 -176.384 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -71.14 142.21 50.73 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-O 126.131 2.872 . . . . 0.0 109.754 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -62.86 159.79 15.95 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 161.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 29' ' ' VAL . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 27' ' ' GLY . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 39' ' ' ALA . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 44' ' ' MET . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 86' ' ' VAL . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' B' ' 63' ' ' ASP . 5.6 mm-40 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' HG3' ' B' ' 78' ' ' MET . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' B' ' 76' ' ' LEU . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' B' ' 60' ' ' PHE . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -74.48 150.5 39.85 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -53.68 157.57 2.21 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 122.973 1.368 . . . . 0.0 112.281 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 82.0 p -123.28 20.49 9.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 124.759 2.219 . . . . 0.0 113.291 -167.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.06 -160.54 48.48 Favored Glycine 0 CA--C 1.557 2.697 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.041 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.83 -146.02 4.42 Favored Glycine 0 C--N 1.391 3.611 0 O-C-N 120.355 -1.674 . . . . 0.0 109.188 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.57 125.31 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 C-N-CA 128.615 2.766 . . . . 0.0 112.118 -168.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.26 1.618 0 C-N-CA 128.599 2.76 . . . . 0.0 111.452 -170.258 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -57.29 -35.58 69.98 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 126.745 2.018 . . . . 0.0 115.41 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -115.59 11.85 15.95 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.184 2.194 . . . . 0.0 114.3 171.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HB3' ' B' ' 33' ' ' LYS . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt -135.97 151.82 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -125.18 -5.2 7.31 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -64.72 127.34 31.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 128.142 3.401 . . . . 0.0 108.95 151.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.48 -162.76 45.88 Favored Glycine 0 CA--C 1.549 2.168 0 O-C-N 119.956 -1.715 . . . . 0.0 111.292 -175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -119.82 7.06 10.92 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.423 -2.222 . . . . 0.0 107.902 164.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.638 0 O-C-N 119.533 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 tpp . . . . . 0 N--CA 1.501 2.122 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 154.51 24.58 Favored 'General case' 1 CA--C 1.639 4.386 0 CA-C-O 115.517 -2.182 . . . . 0.0 111.053 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.273 23.0 t70 -125.34 130.41 51.9 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 129.298 3.039 . . . . 0.0 116.224 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.27 117.91 3.93 Favored 'General case' 0 CA--C 1.581 2.15 0 CA-C-N 120.808 1.64 . . . . 0.0 115.33 171.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -105.11 114.98 63.03 Favored Pre-proline 0 C--N 1.378 1.835 0 CA-C-O 114.593 -2.622 . . . . 0.0 108.277 -170.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -71.47 147.99 53.29 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 CA-C-N 123.287 2.21 . . . . 0.0 114.775 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.86 94.32 4.52 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.598 3.559 . . . . 0.0 107.421 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.5 8.85 0.71 Allowed 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -170.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.86 132.61 6.1 Favored Glycine 0 CA--C 1.559 2.806 0 C-N-CA 129.394 3.378 . . . . 0.0 114.049 171.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -94.63 138.01 21.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 -171.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.02 138.15 31.64 Favored 'General case' 0 C--O 1.201 -1.498 0 O-C-N 119.653 -1.904 . . . . 0.0 108.733 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.0 p -64.29 -7.82 10.74 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -62.74 -49.68 74.05 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 168.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.8 -7.85 53.76 Favored 'General case' 0 C--O 1.172 -2.998 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -155.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.46 149.63 49.06 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.65 155.23 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.036 -1.665 . . . . 0.0 110.988 -173.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.49 164.99 25.94 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.581 -1.949 . . . . 0.0 112.883 156.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HB3' HG13 ' A' ' 42' ' ' VAL . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' B' ' 86' ' ' VAL . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' B' ' 47' ' ' TYR . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.31 150.47 47.33 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -70.09 164.24 24.51 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 126.079 2.847 . . . . 0.0 108.033 -169.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -130.57 -8.75 4.1 Favored 'General case' 0 CA--C 1.597 2.759 0 CA-C-N 113.063 -1.88 . . . . 0.0 112.193 169.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.29 169.34 43.39 Favored Glycine 0 CA--C 1.543 1.822 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.276 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.28 174.45 32.4 Favored Glycine 0 C--O 1.2 -2.008 0 O-C-N 125.601 1.412 . . . . 0.0 115.268 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.2 t -81.84 128.03 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 C-N-CA 128.146 2.578 . . . . 0.0 109.548 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 114.449 -2.691 . . . . 0.0 108.598 -174.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.615 3.48 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 . . . . . 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB ' ' B' ' 38' ' ' THR . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.52 ' HB ' HD12 ' B' ' 34' ' ' ILE . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' B' ' 69' ' ' GLU . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.499 HD11 HG21 ' B' ' 34' ' ' ILE . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.477 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.674 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.674 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 . . . . . 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 121.622 0.725 . . . . 0.0 112.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.638 HD12 HG11 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.443 HG21 HD11 ' B' ' 43' ' ' LEU . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.443 HD11 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 41' ' ' ILE . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 . . . . . 0 C--O 1.242 0.66 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 HD11 ' B' ' 84' ' ' ILE . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' B' ' 72' ' ' THR . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.485 HD11 HD22 ' B' ' 40' ' ' LEU . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG13 HG11 ' B' ' 30' ' ' VAL . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 . . . . . 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.516 HG11 HG13 ' A' ' 41' ' ' ILE . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.487 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 34' ' ' ILE . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.444 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' B' ' 60' ' ' PHE . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' B' ' 58' ' ' ILE . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 C--O 1.274 2.393 0 CA-C-O 123.704 1.716 . . . . 0.0 113.643 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 . . . . . 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.514 HG21 HD11 ' B' ' 43' ' ' LEU . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.433 ' HB ' HD12 ' B' ' 34' ' ' ILE . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.514 HD11 HG21 ' B' ' 34' ' ' ILE . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 60' ' ' PHE . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 58' ' ' ILE . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' B' ' 76' ' ' LEU . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 . . . . . 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 CA--C 1.498 -1.052 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--O 1.241 0.607 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 . . . . . 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' B' ' 72' ' ' THR . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' B' ' 43' ' ' LEU . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 40' ' ' LEU . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 86' ' ' VAL . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 60' ' ' PHE . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 . . . . . 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 . . . . . 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.419 HG23 HG13 ' B' ' 34' ' ' ILE . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.544 HD12 HD11 ' B' ' 34' ' ' ILE . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.544 HD11 HD12 ' B' ' 20' ' ' LEU . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.425 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' ' HG ' ' B' ' 53' ' ' LEU . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 51' ' ' GLN . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 . . . . . 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH22 ' B' ' 50' ' ' ARG 0.428 3.2 t0 . . . . . 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt . . . . . 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 2 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 122.439 1.114 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' B' ' 72' ' ' THR . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.413 HH22 ' CG ' ' A' ' 38' ' ' ASP . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.503 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.503 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.464 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.562 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.562 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 40' ' ' LEU 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.269 30.3 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 123.633 1.683 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 . . . . . 0 CA--C 1.611 3.327 0 CA-C-O 124.926 2.298 . . . . 0.0 107.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.419 HG21 HD21 ' B' ' 43' ' ' LEU . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.419 HD21 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.462 HD13 HG21 ' B' ' 58' ' ' ILE 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 . . . . . 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 . . . . . 0 CA--C 1.569 1.695 0 CA-C-O 115.085 -2.388 . . . . 0.0 116.134 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt . . . . . 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 42' ' ' LYS . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 39' ' ' PRO . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 43' ' ' LEU . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' B' ' 72' ' ' THR . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 CA--C 1.579 2.086 0 CA-C-O 123.715 1.721 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 CA--C 1.581 2.171 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.492 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.492 ' HB3' ' H ' ' B' ' 72' ' ' THR . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 . . . . . 0 CA--C 1.578 2.04 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.639 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' B' ' 40' ' ' LEU . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 66' ' ' PRO . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 65' ' ' GLN . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . 0.607 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . 0.607 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 . . . . . 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.415 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' PHE . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 . . . . . 0 C--O 1.252 1.226 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.495 ' HB2' HG22 ' B' ' 29' ' ' VAL . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.495 HG22 ' HB2' ' B' ' 23' ' ' ALA . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 39' ' ' ALA . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 . . . . . 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 . . . . . 0 C--O 1.16 -3.607 0 N-CA-C 116.65 2.092 . . . . 0.0 116.65 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.435 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 . . . . . 0 CA--C 1.573 1.861 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.391 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.541 ' CD2' HG22 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.506 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 . . . . . 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' B' ' 34' ' ' ILE . 67.2 mt . . . . . 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 . . . . . 0 C--O 1.269 2.13 0 CA-C-O 121.522 0.677 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.438 HD13 HG21 ' B' ' 34' ' ' ILE . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.525 3.319 0 CA-C-O 117.692 -1.147 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt . . . . . 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 . . . . . 1 N--CA 1.549 4.477 0 CA-C-O 121.573 0.701 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' B' ' 34' ' ' ILE . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.624 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' B' ' 20' ' ' LEU . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.449 HD13 HG21 ' B' ' 67' ' ' ILE . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.449 HG21 HD13 ' B' ' 40' ' ' LEU . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 CA--C 1.562 1.425 0 CA-C-O 121.346 0.594 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 29' ' ' VAL . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 27' ' ' GLY . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 39' ' ' ALA . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 44' ' ' MET . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 86' ' ' VAL . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.5 mm100 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' HG3' ' B' ' 78' ' ' MET . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' B' ' 76' ' ' LEU . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' B' ' 60' ' ' PHE . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 124.364 2.031 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HB3' ' B' ' 33' ' ' LYS . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.203 -1.365 0 CA-C-O 123.531 1.634 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HB3' HG13 ' A' ' 42' ' ' VAL . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' B' ' 86' ' ' VAL . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' B' ' 47' ' ' TYR . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 . . . . . 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.393 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -55.26 -42.2 73.22 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-O 124.43 2.062 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -95.49 25.65 4.35 Favored 'General case' 0 CA--C 1.615 3.48 1 O-C-N 116.247 -4.033 . . . . 0.0 113.686 -177.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.87 60.27 4.04 Favored 'General case' 0 C--O 1.272 2.262 0 O-C-N 119.264 -2.147 . . . . 0.0 108.387 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -169.44 123.01 0.77 Allowed 'General case' 0 CA--C 1.484 -1.558 0 O-C-N 118.961 -2.337 . . . . 0.0 108.75 -161.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.8 mt -143.91 137.46 24.27 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 O-C-N 126.681 2.488 . . . . 0.0 109.253 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.34 122.34 68.79 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-O 123.344 1.545 . . . . 0.0 111.539 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mt -134.91 130.06 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 O-C-N 117.067 -3.52 . . . . 0.0 115.543 -161.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' B' ' 38' ' ' THR . 14.5 t0 -143.84 55.51 1.32 Allowed 'General case' 0 N--CA 1.523 3.182 0 O-C-N 126.289 2.243 . . . . 0.0 115.463 -168.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -138.15 145.36 41.46 Favored 'General case' 0 N--CA 1.424 -1.738 0 C-N-CA 129.657 3.183 . . . . 0.0 116.709 -174.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.21 145.67 7.66 Favored Glycine 0 C--O 1.197 -2.166 0 C-N-CA 117.683 -2.199 . . . . 0.0 114.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.68 -23.83 64.44 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-O 117.081 -1.438 . . . . 0.0 113.125 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 120.751 1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtt . . . . . 0 C--O 1.253 1.279 0 CA-C-O 125.877 2.751 . . . . 0.0 106.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.04 135.11 38.63 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 110.104 -3.226 . . . . 0.0 112.519 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -92.82 28.84 1.94 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 125.119 2.39 . . . . 0.0 112.8 -173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -67.09 142.61 57.06 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 117.461 -3.274 . . . . 0.0 115.397 -173.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -151.05 128.0 5.41 Favored Pre-proline 0 N--CA 1.48 1.065 0 C-N-CA 129.204 3.002 . . . . 0.0 111.045 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.72 145.86 69.03 Favored 'Trans proline' 0 N--CA 1.52 3.083 0 N-CA-C 115.443 1.286 . . . . 0.0 115.443 162.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -110.18 137.19 48.25 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 127.257 2.223 . . . . 0.0 111.427 -177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.89 140.37 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 118.416 -1.314 . . . . 0.0 113.728 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.49 22.26 0.68 Allowed Glycine 0 CA--C 1.564 3.152 0 O-C-N 119.53 -1.981 . . . . 0.0 116.698 -171.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 42.0 t -107.81 142.54 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.106 0 C-N-CA 128.047 2.539 . . . . 0.0 112.341 173.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -136.43 85.08 2.12 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 119.414 -2.054 . . . . 0.0 110.309 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -70.98 -24.15 62.34 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-O 115.299 -2.286 . . . . 0.0 114.651 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -89.17 16.65 6.91 Favored 'General case' 0 CA--C 1.585 2.289 0 CA-C-N 122.256 2.298 . . . . 0.0 110.842 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -66.75 156.62 34.93 Favored 'General case' 0 C--O 1.247 0.95 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 159.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -133.71 165.78 24.15 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 126.326 1.85 . . . . 0.0 109.441 167.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.08 135.84 39.88 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 168.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -104.51 146.32 29.04 Favored 'General case' 1 N--CA 1.545 4.289 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 166.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 tt -135.0 145.07 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-O 115.107 -2.378 . . . . 0.0 114.575 175.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -101.64 111.04 23.16 Favored 'General case' 0 N--CA 1.403 -2.808 0 CA-C-N 122.392 2.36 . . . . 0.0 109.135 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 70.0 mt -117.88 139.49 51.04 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -90.51 159.43 16.5 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.0 2.12 . . . . 0.0 113.02 165.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.69 117.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 128.76 2.824 . . . . 0.0 109.132 166.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -133.62 126.33 30.67 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 110.809 -2.905 . . . . 0.0 112.067 -160.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.51 164.24 27.9 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-O 125.07 2.484 . . . . 0.0 116.076 171.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -90.91 -7.01 53.36 Favored 'General case' 0 CA--C 1.568 1.666 0 O-C-N 118.263 -2.904 . . . . 0.0 112.485 -173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -68.55 1.85 2.83 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.257 2.317 . . . . 0.0 117.257 148.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.68 13.15 82.34 Favored Glycine 0 C--N 1.364 2.1 0 CA-C-O 117.591 -1.672 . . . . 0.0 114.114 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.0 p -79.38 134.0 36.58 Favored 'General case' 0 C--N 1.291 -1.967 1 C-N-CA 134.914 5.286 . . . . 0.0 111.351 174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 m -149.87 148.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.401 2.838 0 C-N-CA 125.53 1.532 . . . . 0.0 107.518 -155.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.4 t -135.24 123.43 39.06 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.365 0 C-N-CA 129.332 3.053 . . . . 0.0 112.649 159.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -74.84 141.6 44.24 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.874 1.67 . . . . 0.0 109.309 167.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -143.19 156.47 44.77 Favored 'General case' 0 N--CA 1.526 3.338 0 C-N-CA 126.503 1.921 . . . . 0.0 106.161 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -140.3 113.94 8.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 109.567 -3.47 . . . . 0.0 114.662 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.52 HD12 ' HB ' ' B' ' 38' ' ' THR . 6.5 pt -132.63 156.26 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 CA-C-N 111.433 -2.621 . . . . 0.0 110.938 -160.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.87 152.8 42.33 Favored 'General case' 0 C--O 1.288 3.087 0 CA-C-O 115.689 -2.101 . . . . 0.0 111.475 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -65.54 -13.19 58.4 Favored 'General case' 0 CA--C 1.563 1.449 1 CA-C-N 126.268 4.122 . . . . 0.0 115.023 -167.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -95.18 -6.18 42.27 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 116.116 -1.897 . . . . 0.0 112.197 171.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.52 ' HB ' HD12 ' B' ' 34' ' ' ILE . 99.3 m -72.94 135.34 80.48 Favored Pre-proline 0 C--O 1.254 1.329 0 CA-C-N 122.014 2.188 . . . . 0.0 109.901 -166.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -64.01 137.65 58.46 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.787 2.991 . . . . 0.0 114.408 -174.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.25 -23.05 66.95 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 125.153 2.406 . . . . 0.0 117.104 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' B' ' 69' ' ' GLU . 75.2 p -64.44 -24.11 67.51 Favored 'General case' 0 C--N 1.377 1.771 0 O-C-N 118.826 -2.421 . . . . 0.0 114.618 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -68.33 -29.49 68.25 Favored 'General case' 0 C--N 1.378 1.835 0 O-C-N 118.161 -2.837 . . . . 0.0 111.556 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.499 HD11 HG21 ' B' ' 34' ' ' ILE . 6.4 mp -76.57 -40.0 51.03 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 124.214 1.959 . . . . 0.0 113.397 174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 60' ' ' PHE . 48.0 mtm -80.83 -28.27 36.24 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.251 81.8 mttt -60.8 -53.22 59.99 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 161.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -32.02 73.35 Favored 'General case' 1 N--CA 1.541 4.076 0 C-N-CA 118.13 -1.428 . . . . 0.0 112.802 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.05 -51.06 70.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 117.993 -2.942 . . . . 0.0 111.215 174.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 16.9 t -62.36 -42.2 99.21 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 127.125 2.766 . . . . 0.0 107.061 -173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -62.52 -44.53 96.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 O-C-N 119.224 -2.173 . . . . 0.0 114.851 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -70.59 -30.29 66.94 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 113.268 -3.254 . . . . 0.0 108.213 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -73.25 -19.18 61.13 Favored 'General case' 0 N--CA 1.509 2.477 1 O-C-N 129.563 4.289 . . . . 0.0 112.638 168.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.62 -6.68 83.37 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-N 124.333 3.242 . . . . 0.0 116.236 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.23 163.92 22.65 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 116.352 -1.785 . . . . 0.0 113.66 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -76.24 122.01 23.76 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.083 2.153 . . . . 0.0 114.503 162.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 22.6 ttt -49.47 -21.83 1.04 Allowed 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 ttm105 -63.31 -40.02 96.16 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-O 115.786 -2.054 . . . . 0.0 113.045 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -77.19 0.36 22.12 Favored 'General case' 0 CA--C 1.582 2.193 0 O-C-N 127.057 2.723 . . . . 0.0 113.723 -172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.4 pt -130.4 144.47 37.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.837 0 C-N-CA 127.224 2.21 . . . . 0.0 116.174 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -108.05 158.54 17.31 Favored 'General case' 0 C--O 1.269 2.117 0 CA-C-O 127.057 3.313 . . . . 0.0 105.46 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' B' ' 44' ' ' MET . 74.4 m-85 -138.49 144.04 39.84 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 118.491 -2.63 . . . . 0.0 112.943 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -141.89 149.6 40.42 Favored 'General case' 0 C--O 1.284 2.874 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . 0.281 8.4 t80 -144.89 144.57 31.17 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 123.71 0.632 . . . . 0.0 111.33 166.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.432 25.5 t0 43.8 26.38 0.13 Allowed 'General case' 0 N--CA 1.508 2.473 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 172.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.65 -0.69 52.69 Favored Glycine 0 N--CA 1.428 -1.887 0 N-CA-C 122.701 3.84 . . . . 0.0 122.701 -172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.34 169.87 12.37 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-N 121.361 2.58 . . . . 0.0 111.873 -172.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -72.07 160.73 46.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 123.696 2.93 . . . . 0.0 110.78 173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -103.84 132.65 49.8 Favored 'Isoleucine or valine' 0 C--O 1.252 1.192 0 C-N-CA 127.226 2.21 . . . . 0.0 111.581 162.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -96.34 157.75 15.75 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 123.925 0.89 . . . . 0.0 112.309 170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.477 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 27.6 tt0 -53.96 -4.16 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 129.759 3.224 . . . . 0.0 114.639 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.4 p -130.39 -9.6 4.15 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 131.318 3.847 . . . . 0.0 113.042 -172.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -63.44 144.29 57.1 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.715 -3.115 . . . . 0.0 113.606 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.674 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 15.3 p -125.31 160.12 56.66 Favored Pre-proline 0 C--O 1.258 1.543 0 C-N-CA 123.741 0.816 . . . . 0.0 109.96 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -54.18 -25.85 39.68 Favored 'Trans proline' 0 N--CA 1.508 2.375 0 O-C-N 115.858 -2.759 . . . . 0.0 112.257 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -57.45 8.66 Favored 'General case' 0 N--CA 1.526 3.365 0 CA-C-N 121.671 2.032 . . . . 0.0 107.226 165.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.674 ' HB3' ' H ' ' B' ' 72' ' ' THR . 66.3 tp60 -57.54 -43.64 84.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 121.189 1.813 . . . . 0.0 114.442 -170.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.29 -6.24 56.25 Favored 'General case' 0 C--N 1.373 1.628 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.286 28.3 mm-40 55.43 51.58 12.65 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 128.149 2.58 . . . . 0.0 113.554 -171.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 9.5 mtp -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.405 -2.72 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.23 152.72 32.44 Favored 'General case' 0 C--N 1.366 1.317 0 C-N-CA 128.073 2.549 . . . . 0.0 112.39 159.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.65 164.86 4.25 Favored 'General case' 0 N--CA 1.501 2.098 0 CA-C-O 127.447 3.498 . . . . 0.0 115.716 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 53.59 24.73 4.36 Favored 'General case' 0 C--N 1.372 1.565 1 O-C-N 114.899 -4.876 . . . . 0.0 114.786 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.265 0.2 OUTLIER -80.68 173.75 12.3 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 118.208 -2.808 . . . . 0.0 118.446 173.151 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . 0.265 40.8 m -111.27 130.96 55.5 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 118.598 -2.564 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.9 mt -85.19 131.71 33.5 Favored 'Isoleucine or valine' 0 C--O 1.27 2.145 0 C-N-CA 128.589 2.756 . . . . 0.0 113.968 151.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -97.05 143.61 27.72 Favored 'General case' 0 C--N 1.397 2.643 0 O-C-N 119.406 -2.059 . . . . 0.0 112.227 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 t -106.62 149.78 9.76 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 C-N-CA 129.549 3.14 . . . . 0.0 112.966 169.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.252 62.6 m-85 -147.55 142.71 27.17 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 127.359 2.264 . . . . 0.0 114.881 -178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -77.33 177.86 7.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 128.225 2.61 . . . . 0.0 113.225 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -144.66 156.64 44.2 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 131.014 3.726 . . . . 0.0 112.775 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -147.03 51.59 1.09 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 36.6 p -79.2 168.97 18.84 Favored 'General case' 0 C--O 1.282 2.775 0 CA-C-O 124.353 2.025 . . . . 0.0 110.647 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.31 -145.23 32.93 Favored Glycine 0 CA--C 1.564 3.113 0 CA-C-N 114.155 -1.384 . . . . 0.0 114.076 -175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.21 173.6 7.8 Favored Glycine 0 N--CA 1.493 2.488 0 CA-C-O 119.696 -0.502 . . . . 0.0 113.655 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.26 124.9 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 127.809 2.444 . . . . 0.0 114.563 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--O 1.27 2.141 0 C-N-CA 126.669 1.988 . . . . 0.0 109.378 173.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -86.38 -23.0 26.32 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 127.699 2.4 . . . . 0.0 112.829 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -157.24 17.16 0.28 Allowed 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 126.991 2.117 . . . . 0.0 112.885 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.61 38.98 0.03 OUTLIER 'General case' 0 CA--C 1.605 3.084 0 C-N-CA 128.687 2.795 . . . . 0.0 112.768 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.18 144.03 22.83 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.458 1.903 . . . . 0.0 115.361 -172.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.638 HD12 HG11 ' B' ' 30' ' ' VAL . 24.4 mt -149.28 87.46 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 128.981 2.912 . . . . 0.0 112.789 -174.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.0 t -80.93 119.04 29.76 Favored 'Isoleucine or valine' 0 C--O 1.281 2.726 0 CA-C-O 115.428 -2.225 . . . . 0.0 112.232 -172.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.13 144.86 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 121.654 2.024 . . . . 0.0 111.462 -167.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.267 3.1 t70 -136.4 -25.28 1.18 Allowed 'General case' 0 CA--C 1.468 -2.178 0 N-CA-C 121.043 3.719 . . . . 0.0 121.043 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -142.98 172.65 12.42 Favored 'General case' 0 C--O 1.269 2.123 0 C-N-CA 125.182 1.393 . . . . 0.0 112.612 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.23 166.33 37.01 Favored Glycine 0 C--N 1.394 3.778 0 O-C-N 117.863 -3.023 . . . . 0.0 118.409 -166.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -152.53 -44.57 0.1 Allowed 'General case' 0 CA--C 1.603 3.012 0 C-N-CA 125.946 1.698 . . . . 0.0 108.985 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.146 0 O-C-N 118.428 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.16 159.29 18.25 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.24 -167.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.296 1.5 t0 -141.29 12.22 2.16 Favored 'General case' 0 C--O 1.259 1.581 0 N-CA-C 117.699 2.481 . . . . 0.0 117.699 -169.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -80.18 116.77 20.46 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 116.988 -3.57 . . . . 0.0 108.592 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -134.87 130.54 19.63 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 126.955 2.659 . . . . 0.0 108.191 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -68.87 161.45 45.58 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-O 123.227 1.261 . . . . 0.0 110.32 171.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -118.23 163.61 16.41 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -76.93 129.64 36.44 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 128.824 2.85 . . . . 0.0 110.68 168.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.96 46.78 2.45 Favored Glycine 0 C--O 1.217 -0.93 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.5 t -140.72 137.15 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.098 0 O-C-N 121.067 -1.255 . . . . 0.0 113.933 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.7 80.8 1.16 Allowed 'General case' 0 CA--C 1.468 -2.204 0 O-C-N 120.106 -1.621 . . . . 0.0 107.796 170.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -89.46 8.24 31.94 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 173.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.87 -9.72 16.71 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.795 2.517 . . . . 0.0 117.795 153.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -75.2 148.1 39.83 Favored 'General case' 0 C--N 1.381 1.974 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.052 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -154.76 154.92 33.59 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 126.802 2.564 . . . . 0.0 114.995 159.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.72 163.3 25.99 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 122.133 2.242 . . . . 0.0 111.369 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -137.09 151.4 48.84 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.443 1.097 . . . . 0.0 112.894 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 tt -128.04 147.19 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.117 0 CA-C-O 117.618 -1.182 . . . . 0.0 109.993 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -110.37 106.16 15.42 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 125.441 1.713 . . . . 0.0 109.69 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.342 6.3 mt -103.57 136.29 43.56 Favored 'General case' 0 N--CA 1.509 2.476 0 C-N-CA 124.17 0.988 . . . . 0.0 111.281 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -83.04 156.01 23.6 Favored 'General case' 0 C--N 1.366 1.311 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 161.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.98 122.39 67.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.721 0 C-N-CA 127.522 2.329 . . . . 0.0 110.825 151.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.55 135.63 55.0 Favored 'General case' 0 C--O 1.198 -1.649 1 N-CA-C 123.882 4.771 . . . . 0.0 123.882 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 155.06 31.64 Favored Glycine 0 N--CA 1.512 3.718 0 CA-C-O 114.576 -3.347 . . . . 0.0 112.409 170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -72.88 -14.91 61.58 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 127.0 2.235 . . . . 0.0 112.012 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -75.32 2.53 10.96 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 117.852 2.538 . . . . 0.0 117.852 160.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.53 6.88 82.94 Favored Glycine 1 CA--C 1.583 4.306 0 CA-C-O 119.084 -0.842 . . . . 0.0 114.002 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -75.86 137.05 40.19 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 129.241 3.016 . . . . 0.0 112.578 166.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.6 156.51 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 119.474 -2.016 . . . . 0.0 112.707 -166.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 41' ' ' ILE 0.291 84.0 t -133.26 147.51 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.647 0 CA-C-O 115.257 -2.306 . . . . 0.0 111.98 160.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -105.67 129.9 53.8 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 125.866 3.939 . . . . 0.0 108.789 167.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.63 105.59 9.45 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 130.508 3.523 . . . . 0.0 112.948 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -86.91 120.18 27.92 Favored 'General case' 0 CA--C 1.492 -1.257 0 CA-C-N 108.64 -3.891 . . . . 0.0 111.39 166.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.443 HG21 HD11 ' B' ' 43' ' ' LEU . 41.9 pt -142.47 160.9 19.27 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -80.12 162.85 24.54 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.617 -0.833 . . . . 0.0 108.859 168.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -81.48 -15.26 55.54 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 113.249 -3.262 . . . . 0.0 109.664 -160.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -108.31 8.09 27.53 Favored 'General case' 0 C--N 1.308 -1.228 0 C-N-CA 127.722 2.409 . . . . 0.0 113.289 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 88.9 m -63.22 123.61 81.11 Favored Pre-proline 0 N--CA 1.518 2.925 0 CA-C-O 113.374 -3.203 . . . . 0.0 111.146 170.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.43 131.43 38.3 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 CA-C-N 122.588 1.96 . . . . 0.0 116.839 172.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -73.53 -20.33 60.68 Favored 'General case' 1 N--CA 1.553 4.715 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.843 -166.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.0 p -47.73 -35.82 10.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.519 -1.363 . . . . 0.0 113.05 162.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -61.11 -33.46 73.4 Favored 'General case' 0 N--CA 1.513 2.696 0 O-C-N 125.512 1.758 . . . . 0.0 110.241 -177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.443 HD11 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -77.0 -44.61 30.27 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 125.825 1.65 . . . . 0.0 109.191 174.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . 0.326 2.0 mtp -57.54 -38.09 74.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 124.542 2.115 . . . . 0.0 116.118 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -77.37 -46.11 23.85 Favored 'General case' 0 N--CA 1.438 -1.033 0 O-C-N 117.348 -3.345 . . . . 0.0 110.597 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.73 -45.28 82.05 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 113.122 -3.323 . . . . 0.0 113.284 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -67.21 -42.44 84.11 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.883 2.473 . . . . 0.0 108.977 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.85 -40.95 97.76 Favored 'General case' 0 N--CA 1.512 2.658 0 O-C-N 120.26 -1.525 . . . . 0.0 111.528 -174.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.52 -40.55 80.75 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 116.509 -1.71 . . . . 0.0 106.515 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -66.9 -32.11 73.15 Favored 'General case' 0 N--CA 1.408 -2.526 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -80.39 -10.2 59.75 Favored 'General case' 1 N--CA 1.546 4.348 0 CA-C-O 116.569 -1.682 . . . . 0.0 111.59 172.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.67 14.87 81.96 Favored Glycine 0 C--N 1.375 2.724 1 C-N-CA 131.6 4.428 . . . . 0.0 120.485 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.09 164.15 25.26 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 125.854 1.561 . . . . 0.0 110.28 -175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.7 t -89.45 111.8 22.78 Favored 'General case' 0 CA--C 1.601 2.929 0 CA-C-N 111.94 -2.391 . . . . 0.0 110.76 161.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.2 ttt -55.56 -20.72 14.26 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 115.745 -2.074 . . . . 0.0 112.564 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.422 41.7 ttm180 -72.32 -13.66 61.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 120.607 1.549 . . . . 0.0 114.332 177.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.9 0.85 52.5 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.081 1.752 . . . . 0.0 115.582 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 32.8 pt -133.79 156.16 40.88 Favored 'Isoleucine or valine' 1 N--CA 1.579 5.981 0 C-N-CA 126.986 2.114 . . . . 0.0 111.64 -169.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . 0.276 57.9 mmt-85 -120.51 146.42 46.3 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.18 2.592 . . . . 0.0 113.938 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.73 130.41 56.71 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 118.194 -2.816 . . . . 0.0 109.388 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -135.32 143.45 46.18 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.71 141.22 34.96 Favored 'General case' 0 C--O 1.256 1.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.649 172.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t0 55.85 24.83 7.84 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.02 78.57 Favored Glycine 1 N--CA 1.53 4.923 0 CA-C-O 118.253 -1.304 . . . . 0.0 115.423 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -136.77 161.08 63.8 Favored Pre-proline 0 N--CA 1.482 1.153 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -76.09 176.93 9.4 Favored 'Trans proline' 0 C--N 1.376 2.014 0 CA-C-N 119.519 0.864 . . . . 0.0 114.281 -169.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -141.05 129.7 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.574 0 CA-C-O 115.318 -2.277 . . . . 0.0 106.569 -169.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -90.34 155.94 18.61 Favored 'General case' 0 N--CA 1.419 -2.013 0 O-C-N 125.929 2.018 . . . . 0.0 110.374 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -49.97 -37.0 30.36 Favored 'General case' 0 CA--C 1.583 2.241 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 172.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.9 p -90.97 0.64 57.48 Favored 'General case' 0 C--O 1.201 -1.489 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -67.4 153.42 43.73 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 123.978 1.847 . . . . 0.0 113.645 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . 0.303 66.0 p -146.04 141.85 17.06 Favored Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.405 2.682 . . . . 0.0 110.676 -160.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.42 -38.94 44.47 Favored 'Trans proline' 0 C--O 1.173 -2.726 0 C-N-CA 123.729 2.953 . . . . 0.0 111.309 169.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.29 . . -63.4 -35.87 81.84 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 122.433 2.379 . . . . 0.0 109.856 177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -93.08 -38.63 11.51 Favored 'General case' 0 N--CA 1.395 -3.219 0 CA-C-N 120.25 1.386 . . . . 0.0 111.11 -173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.79 -19.79 61.28 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 121.164 1.802 . . . . 0.0 112.307 172.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.5 46.3 mm-40 68.95 43.12 1.2 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 122.262 1.03 . . . . 0.0 111.21 177.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 66.7 mtp -77.29 147.56 36.18 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 117.89 -3.006 . . . . 0.0 112.363 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -103.81 148.59 25.93 Favored 'General case' 0 C--O 1.277 2.511 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.876 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -71.5 163.86 26.92 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 119.241 -2.162 . . . . 0.0 113.423 -161.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 48.31 47.84 19.42 Favored 'General case' 0 CA--C 1.605 3.089 0 C-N-CA 125.622 1.569 . . . . 0.0 114.549 -172.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -118.93 164.05 16.01 Favored 'General case' 0 C--O 1.292 3.317 0 O-C-N 119.336 -2.103 . . . . 0.0 110.841 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 78.9 m -119.0 135.94 54.36 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.31 0.644 . . . . 0.0 111.288 -169.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 mt -86.53 125.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 126.026 2.079 . . . . 0.0 107.01 162.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.21 148.35 26.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 118.87 2.915 . . . . 0.0 118.87 162.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.94 136.78 48.14 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 C-N-CA 126.633 1.973 . . . . 0.0 108.533 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.97 138.69 53.77 Favored 'General case' 0 CA--C 1.6 2.885 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.757 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -75.02 174.2 9.68 Favored 'General case' 0 CA--C 1.585 2.304 0 O-C-N 126.46 2.35 . . . . 0.0 109.268 158.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -137.56 161.38 36.59 Favored 'General case' 0 C--O 1.27 2.163 0 C-N-CA 127.516 2.326 . . . . 0.0 111.552 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -150.23 33.5 0.65 Allowed 'General case' 0 N--CA 1.508 2.438 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . 0.277 56.4 p -66.47 145.47 55.62 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 118.253 -2.779 . . . . 0.0 113.295 -163.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.62 -150.08 32.54 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 118.633 -2.542 . . . . 0.0 112.34 -165.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.68 -174.69 42.09 Favored Glycine 0 N--CA 1.484 1.893 0 O-C-N 127.097 2.292 . . . . 0.0 115.763 -175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 55.5 t -138.48 140.7 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 128.019 2.527 . . . . 0.0 108.183 163.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.27 0 O-C-N 125.312 1.633 . . . . 0.0 111.851 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.47 -24.75 61.23 Favored 'General case' 0 N--CA 1.513 2.695 0 C-N-CA 126.967 2.107 . . . . 0.0 115.432 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -148.08 61.29 1.12 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 115.681 -2.104 . . . . 0.0 112.757 -170.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.0 37.68 0.32 Allowed 'General case' 0 C--N 1.282 -2.354 1 O-C-N 129.527 4.267 . . . . 0.0 114.816 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.87 144.54 26.97 Favored 'General case' 0 N--CA 1.515 2.806 0 O-C-N 117.818 -3.051 . . . . 0.0 113.981 -175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 41' ' ' ILE . 15.8 mt -153.6 124.55 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 130.454 3.502 . . . . 0.0 112.28 171.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.78 122.68 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 127.152 2.783 . . . . 0.0 110.408 -163.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.26 149.85 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 C-N-CA 127.012 2.125 . . . . 0.0 109.702 -158.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.0 32.26 5.13 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -141.05 163.6 32.54 Favored 'General case' 0 N--CA 1.518 2.936 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 -179.74 48.79 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 117.616 -2.231 . . . . 0.0 113.517 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -146.5 -66.45 0.28 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 127.883 2.473 . . . . 0.0 115.353 -157.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.458 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.193 -1.919 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.17 169.63 0.8 Allowed 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 129.462 3.105 . . . . 0.0 110.804 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.96 -21.7 63.23 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 126.01 2.069 . . . . 0.0 114.731 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -53.16 142.15 21.31 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -168.21 143.55 3.01 Favored Pre-proline 0 N--CA 1.479 1.008 0 O-C-N 118.554 -2.592 . . . . 0.0 111.108 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -62.54 147.91 94.11 Favored 'Trans proline' 0 N--CA 1.509 2.438 0 C-N-CA 120.764 0.976 . . . . 0.0 112.101 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -153.79 136.0 14.84 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 124.522 2.106 . . . . 0.0 109.703 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -69.4 141.89 54.02 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.938 -1.937 . . . . 0.0 114.139 176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.34 -11.1 82.66 Favored Glycine 0 CA--C 1.472 -2.656 0 N-CA-C 121.181 3.232 . . . . 0.0 121.181 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 73.6 t -73.92 139.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 CA-C-N 119.86 1.83 . . . . 0.0 111.327 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.03 101.64 3.86 Favored 'General case' 1 N--CA 1.553 4.684 0 N-CA-C 101.345 -3.576 . . . . 0.0 101.345 178.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -61.95 -16.6 52.34 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 160.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.84 5.74 1.83 Allowed 'General case' 1 N--CA 1.54 4.045 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 165.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -98.29 135.96 39.15 Favored 'General case' 0 N--CA 1.411 -2.392 0 O-C-N 120.528 -1.358 . . . . 0.0 111.592 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.28 125.75 5.65 Favored 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 127.612 2.365 . . . . 0.0 108.916 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -70.76 118.03 13.03 Favored 'General case' 0 CA--C 1.597 2.779 0 CA-C-O 126.585 3.088 . . . . 0.0 114.349 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -68.73 148.53 50.23 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 128.714 2.806 . . . . 0.0 117.844 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 tt -112.15 149.12 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 127.706 2.403 . . . . 0.0 107.964 164.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -104.03 135.05 46.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.2 mt -138.27 174.98 9.98 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 118.608 -2.558 . . . . 0.0 115.13 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -138.87 165.08 27.98 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 124.94 1.296 . . . . 0.0 107.753 170.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -134.73 114.02 17.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 102.765 -3.05 . . . . 0.0 102.765 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.69 24.9 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 127.283 3.42 . . . . 0.0 107.775 -164.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.57 151.34 25.24 Favored Glycine 0 C--N 1.361 1.946 0 O-C-N 117.369 -3.332 . . . . 0.0 110.763 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -64.62 -20.01 66.02 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 117.673 -3.251 . . . . 0.0 110.288 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -78.94 7.68 6.83 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 129.621 3.168 . . . . 0.0 119.505 166.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 17.11 78.22 Favored Glycine 0 CA--C 1.566 3.263 1 C-N-CA 131.147 4.213 . . . . 0.0 121.49 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -80.76 147.87 30.33 Favored 'General case' 0 N--CA 1.523 3.203 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 169.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.57 142.89 13.19 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 O-C-N 124.956 1.41 . . . . 0.0 109.853 -159.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.47 147.42 16.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.988 0 O-C-N 119.192 -2.192 . . . . 0.0 111.87 157.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -93.9 139.9 30.35 Favored 'General case' 0 C--N 1.368 1.408 0 N-CA-C 117.183 2.29 . . . . 0.0 117.183 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -136.62 96.5 3.35 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.464 1.906 . . . . 0.0 112.122 -171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -70.5 124.18 23.6 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 119.775 -1.828 . . . . 0.0 107.388 160.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.33 162.96 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.622 0 C-N-CA 127.462 2.305 . . . . 0.0 112.51 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.32 139.21 45.9 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 126.423 1.889 . . . . 0.0 108.304 167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 35.7 mtm105 -60.87 -13.97 19.1 Favored 'General case' 0 C--O 1.173 -2.94 0 CA-C-N 122.098 2.226 . . . . 0.0 116.975 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -98.43 1.74 47.1 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.156 -1.384 . . . . 0.0 113.814 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 46.8 m -63.06 121.51 69.44 Favored Pre-proline 0 N--CA 1.488 1.459 2 O-C-N 112.618 -6.301 . . . . 0.0 109.729 173.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -55.98 131.93 48.95 Favored 'Trans proline' 0 C--O 1.283 2.742 1 C-N-CA 125.733 4.288 . . . . 0.0 113.478 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 HD11 ' B' ' 84' ' ' ILE . 96.0 mt -68.54 -15.92 63.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 126.436 1.894 . . . . 0.0 109.749 -174.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -45.39 -41.19 8.86 Favored 'General case' 0 C--O 1.243 0.759 0 C-N-CA 129.871 3.269 . . . . 0.0 109.962 164.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.339 39.0 mtpt -63.98 -55.27 23.63 Favored 'General case' 0 N--CA 1.531 3.598 0 O-C-N 123.754 0.659 . . . . 0.0 110.851 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.44 -34.63 77.17 Favored 'General case' 0 CA--C 1.589 2.46 0 C-N-CA 124.67 1.188 . . . . 0.0 109.452 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mtp -57.46 -51.04 71.04 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 119.677 -1.889 . . . . 0.0 110.944 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -65.38 -39.98 92.92 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 128.287 2.635 . . . . 0.0 115.188 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.99 -61.07 2.64 Favored 'General case' 0 C--O 1.262 1.737 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -39.78 -55.04 2.02 Favored 'General case' 0 CA--C 1.59 2.493 0 C-N-CA 128.677 2.791 . . . . 0.0 115.01 169.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.02 -32.77 73.29 Favored 'General case' 0 N--CA 1.414 -2.265 0 N-CA-C 119.232 3.049 . . . . 0.0 119.232 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.32 -45.53 79.99 Favored 'General case' 0 C--O 1.267 1.98 0 N-CA-C 116.717 2.117 . . . . 0.0 116.717 162.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -67.31 -14.93 63.37 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 123.515 2.87 . . . . 0.0 112.996 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -104.76 0.29 28.06 Favored 'General case' 0 CA--C 1.614 3.413 0 N-CA-C 119.904 3.298 . . . . 0.0 119.904 167.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 54.58 41.91 75.0 Favored Glycine 0 N--CA 1.49 2.261 0 O-C-N 124.611 1.194 . . . . 0.0 114.361 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.269 12.5 mt -98.03 152.09 19.65 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 128.234 2.613 . . . . 0.0 112.572 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 t -71.93 138.32 48.02 Favored 'General case' 0 CA--C 1.583 2.25 0 CA-C-N 120.947 1.703 . . . . 0.0 106.7 145.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.8 ttp -82.11 -16.27 50.55 Favored 'General case' 0 C--N 1.373 1.614 0 O-C-N 119.053 -2.279 . . . . 0.0 109.767 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 ttm105 -71.88 -21.85 61.59 Favored 'General case' 0 C--O 1.197 -1.668 0 C-N-CA 130.185 3.394 . . . . 0.0 113.328 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -97.79 6.03 48.39 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 122.901 2.592 . . . . 0.0 116.113 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 pt -119.34 161.76 18.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 CA-C-O 124.195 1.95 . . . . 0.0 110.391 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -130.95 121.61 25.45 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -96.25 129.48 43.56 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -119.31 155.76 31.26 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 127.535 2.334 . . . . 0.0 113.393 174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -140.5 124.23 17.18 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 110.942 -2.844 . . . . 0.0 115.174 167.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t0 62.83 30.62 16.64 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 123.905 1.812 . . . . 0.0 114.86 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.79 4.17 75.71 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-O 118.139 -1.367 . . . . 0.0 113.929 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -106.74 159.46 29.8 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -63.91 160.79 35.7 Favored 'Trans proline' 0 C--O 1.258 1.496 0 CA-C-N 121.464 1.559 . . . . 0.0 111.825 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 22.0 mt -93.65 140.41 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.876 0 C-N-CA 126.15 1.78 . . . . 0.0 110.761 159.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -91.73 154.66 18.82 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 120.805 -1.184 . . . . 0.0 107.843 165.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.279 69.0 tt0 -57.77 -32.86 67.91 Favored 'General case' 0 N--CA 1.535 3.798 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 170.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.371 57.4 p -76.63 -11.6 59.88 Favored 'General case' 0 C--O 1.18 -2.565 0 N-CA-C 118.089 2.625 . . . . 0.0 118.089 169.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -64.34 125.32 24.23 Favored 'General case' 0 C--O 1.195 -1.801 0 CA-C-N 121.432 1.923 . . . . 0.0 116.186 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.412 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 28.4 p -105.39 152.79 39.97 Favored Pre-proline 0 N--CA 1.394 -3.266 0 C-N-CA 129.235 3.014 . . . . 0.0 109.453 173.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -42.41 -30.55 1.54 Allowed 'Trans proline' 0 N--CA 1.529 3.569 0 N-CA-C 118.064 2.294 . . . . 0.0 118.064 160.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.42 -29.92 16.03 Favored 'General case' 0 C--O 1.28 2.672 0 CA-C-O 117.452 -1.261 . . . . 0.0 111.655 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.412 ' HB3' ' H ' ' B' ' 72' ' ' THR . 16.3 tp60 -60.62 -38.11 83.67 Favored 'General case' 0 C--O 1.196 -1.746 0 CA-C-O 116.38 -1.771 . . . . 0.0 115.413 162.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.31 78.2 mt -81.03 -10.47 59.69 Favored 'General case' 0 CA--C 1.562 1.433 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 169.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 55.53 46.23 23.4 Favored 'General case' 0 N--CA 1.532 3.64 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mtt -55.17 143.98 25.71 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.175 2.417 . . . . 0.0 109.601 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -85.45 149.65 25.25 Favored 'General case' 0 CA--C 1.585 2.307 0 C-N-CA 129.254 3.022 . . . . 0.0 107.895 156.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -67.6 163.11 22.02 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.324 60.7 mt-10 62.34 19.8 11.33 Favored 'General case' 0 N--CA 1.504 2.244 0 C-N-CA 131.17 3.788 . . . . 0.0 119.236 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -170.98 2.83 Favored 'General case' 0 CA--C 1.579 2.067 1 O-C-N 115.486 -4.509 . . . . 0.0 112.505 177.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 17.4 m -134.25 141.03 46.85 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 130.462 3.505 . . . . 0.0 110.569 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.485 HD11 HD22 ' B' ' 40' ' ' LEU . 62.8 mt -84.73 126.47 40.28 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.256 0 C-N-CA 129.155 2.982 . . . . 0.0 110.991 159.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -94.44 137.22 33.84 Favored 'General case' 0 N--CA 1.513 2.699 0 CA-C-O 126.782 3.182 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.56 121.08 66.7 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.089 0 O-C-N 118.536 -2.602 . . . . 0.0 111.465 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -108.75 140.47 42.13 Favored 'General case' 1 C--O 1.324 4.992 0 O-C-N 118.965 -2.334 . . . . 0.0 115.755 172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -76.75 143.52 39.87 Favored 'General case' 0 CA--C 1.472 -2.055 0 N-CA-C 116.91 2.189 . . . . 0.0 116.91 157.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -93.92 156.71 16.48 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-O 123.735 1.731 . . . . 0.0 108.296 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -131.9 50.85 2.2 Favored 'General case' 0 C--O 1.284 2.897 0 C-N-CA 128.047 2.539 . . . . 0.0 115.819 177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 56.5 p -76.56 157.75 31.75 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-O 124.541 2.115 . . . . 0.0 113.614 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.72 -146.98 23.68 Favored Glycine 1 N--CA 1.53 4.926 0 CA-C-O 117.835 -1.536 . . . . 0.0 109.92 -172.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.66 147.82 20.54 Favored Glycine 0 C--N 1.375 2.724 0 CA-C-N 119.845 1.822 . . . . 0.0 112.062 170.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 90.3 t -85.06 113.63 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 CA-C-O 113.32 -3.229 . . . . 0.0 112.871 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.379 1.865 0 O-C-N 129.1 4.0 . . . . 0.0 109.447 177.628 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.506 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -75.86 -27.7 57.88 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.211 3.004 . . . . 0.0 116.443 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.44 43.22 2.48 Favored 'General case' 0 C--N 1.274 -2.69 0 O-C-N 119.142 -2.224 . . . . 0.0 111.785 -172.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.03 38.42 0.27 Allowed 'General case' 0 C--O 1.264 1.859 0 O-C-N 120.038 -1.664 . . . . 0.0 114.688 -157.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -145.94 134.97 22.66 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.079 0.952 . . . . 0.0 111.159 -167.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG13 HG11 ' B' ' 30' ' ' VAL . 1.0 OUTLIER -151.52 120.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.853 0 C-N-CA 127.872 2.469 . . . . 0.0 113.459 178.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.5 t -113.27 50.71 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-O 127.434 3.492 . . . . 0.0 108.813 -150.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mt -58.72 142.77 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.48 0 C-N-CA 128.734 2.814 . . . . 0.0 115.671 -174.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -139.95 -5.3 1.32 Allowed 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 116.357 -3.965 . . . . 0.0 120.69 -170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -166.69 173.56 9.51 Favored 'General case' 0 C--O 1.194 -1.837 1 C-N-CA 133.583 4.753 . . . . 0.0 114.223 -171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 178.97 48.83 Favored Glycine 0 C--O 1.262 1.868 0 C-N-CA 126.808 2.147 . . . . 0.0 114.51 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -121.46 -25.82 5.09 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 119.117 -2.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 123.061 1.41 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.9 138.08 57.52 Favored 'General case' 1 N--CA 1.545 4.322 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -169.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -72.6 7.79 1.73 Allowed 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 113.785 -1.552 . . . . 0.0 114.033 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -46.13 113.92 0.7 Allowed 'General case' 0 C--O 1.219 -0.528 1 C-N-CA 131.734 4.013 . . . . 0.0 115.519 175.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -139.57 144.9 41.31 Favored Pre-proline 0 N--CA 1.487 1.395 0 CA-C-O 117.526 -1.226 . . . . 0.0 111.969 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -73.31 155.25 51.39 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.13 3.22 . . . . 0.0 111.809 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -141.73 128.22 20.11 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -66.19 151.0 47.92 Favored 'General case' 0 CA--C 1.616 3.508 0 O-C-N 119.081 -2.262 . . . . 0.0 112.933 -164.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.64 0.22 82.26 Favored Glycine 0 CA--C 1.459 -3.468 0 CA-C-O 125.475 2.708 . . . . 0.0 119.43 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 19.1 t -131.04 139.69 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 117.58 -3.306 . . . . 0.0 108.93 -173.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' HE2' ' HG2' ' B' ' 13' ' ' GLU . 69.0 tttt -145.18 139.66 27.39 Favored 'General case' 0 N--CA 1.417 -2.102 0 O-C-N 125.618 1.824 . . . . 0.0 110.25 170.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.8 p -59.85 -22.73 62.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 115.217 -2.593 . . . . 0.0 110.956 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' HG2' ' HE2' ' B' ' 11' ' ' LYS . 32.2 mm-40 -74.4 -13.09 60.67 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 115.362 -2.256 . . . . 0.0 109.112 -177.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -69.27 -4.72 19.06 Favored 'General case' 0 N--CA 1.515 2.798 0 CA-C-N 121.394 1.906 . . . . 0.0 115.208 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -69.22 132.73 46.96 Favored 'General case' 0 CA--C 1.582 2.189 1 O-C-N 114.637 -5.039 . . . . 0.0 111.563 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -66.56 128.58 36.76 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 129.524 3.13 . . . . 0.0 117.748 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -80.98 174.63 11.43 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 117.446 2.387 . . . . 0.0 117.446 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 tt -139.35 140.2 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 CA-C-O 125.295 2.474 . . . . 0.0 112.449 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -111.46 116.02 30.2 Favored 'General case' 0 N--CA 1.423 -1.791 0 O-C-N 117.917 -2.989 . . . . 0.0 111.764 -168.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.389 0.5 OUTLIER -125.01 145.19 50.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 121.009 1.731 . . . . 0.0 112.457 176.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -89.72 141.5 28.56 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 118.477 -2.639 . . . . 0.0 105.84 161.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 73.9 t -113.76 112.82 41.87 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.975 0 C-N-CA 127.57 2.348 . . . . 0.0 110.526 162.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.28 143.97 42.45 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 128.378 3.549 . . . . 0.0 113.726 -165.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.11 160.55 17.64 Favored Glycine 0 CA--C 1.551 2.317 0 CA-C-N 119.375 0.988 . . . . 0.0 111.563 171.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -65.7 -15.86 63.21 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -76.36 -11.23 59.86 Favored 'General case' 0 CA--C 1.476 -1.884 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.07 7.35 35.72 Favored Glycine 1 CA--C 1.609 5.935 0 O-C-N 120.621 -1.3 . . . . 0.0 110.813 170.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.2 p -88.86 134.62 33.88 Favored 'General case' 0 N--CA 1.516 2.847 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.1 151.74 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.108 0 CA-C-O 126.205 2.907 . . . . 0.0 111.47 -165.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.516 HG11 HG13 ' A' ' 41' ' ' ILE . 12.2 t -131.29 143.28 41.11 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.418 0 O-C-N 119.69 -1.881 . . . . 0.0 107.924 147.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -99.51 137.53 37.87 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 123.322 1.534 . . . . 0.0 109.88 165.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.487 ' CE1' ' HB ' ' A' ' 41' ' ' ILE . 96.8 m-85 -122.1 127.27 49.95 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 129.896 3.278 . . . . 0.0 113.091 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -101.81 116.43 32.71 Favored 'General case' 0 C--O 1.257 1.488 0 C-N-CA 127.298 2.239 . . . . 0.0 107.082 167.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 34' ' ' ILE . 45.0 pt -131.69 -178.24 2.54 Favored 'Isoleucine or valine' 0 C--O 1.255 1.355 0 O-C-N 127.424 2.952 . . . . 0.0 109.74 -174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -93.34 163.1 13.73 Favored 'General case' 0 CA--C 1.568 1.653 0 O-C-N 119.871 -1.768 . . . . 0.0 114.05 164.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -60.73 -27.95 68.31 Favored 'General case' 0 C--O 1.275 2.411 0 N-CA-C 119.124 3.009 . . . . 0.0 119.124 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . 0.279 13.8 p-80 -94.82 4.0 54.34 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 131.394 3.878 . . . . 0.0 112.676 172.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -75.9 133.97 72.23 Favored Pre-proline 0 C--O 1.25 1.093 1 CA-C-N 126.32 4.145 . . . . 0.0 107.469 174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -83.1 143.8 11.58 Favored 'Trans proline' 0 C--N 1.289 -2.559 1 C-N-CA 125.899 4.399 . . . . 0.0 110.723 -171.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 28.6 mt -75.84 -21.24 57.45 Favored 'General case' 0 C--N 1.371 1.54 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.444 ' HA ' ' SD ' ' B' ' 44' ' ' MET . 94.1 p -56.4 -17.72 8.86 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.425 -3.297 . . . . 0.0 114.026 171.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -75.22 -33.14 61.33 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 119.778 1.172 . . . . 0.0 112.81 166.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.25 -36.35 40.05 Favored 'General case' 0 CA--C 1.557 1.241 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.137 -171.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' B' ' 41' ' ' SER . 95.8 mtp -37.14 -70.6 0.09 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 127.156 2.785 . . . . 0.0 108.176 159.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -65.42 -46.21 80.84 Favored 'General case' 0 N--CA 1.401 -2.883 0 CA-C-O 117.131 -1.414 . . . . 0.0 112.117 -173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.72 -18.75 65.29 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 123.102 2.683 . . . . 0.0 114.991 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -76.17 -53.52 8.16 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.987 -1.07 . . . . 0.0 108.185 168.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.11 -43.5 78.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 129.445 3.098 . . . . 0.0 111.965 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -56.26 -57.32 12.74 Favored 'General case' 0 N--CA 1.519 2.997 0 C-N-CA 127.453 2.301 . . . . 0.0 112.031 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -59.97 -33.78 72.4 Favored 'General case' 0 N--CA 1.531 3.598 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.45 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -78.12 -21.46 50.36 Favored 'General case' 0 N--CA 1.535 3.789 0 O-C-N 125.554 1.783 . . . . 0.0 115.67 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.97 19.77 79.7 Favored Glycine 0 C--O 1.266 2.15 0 O-C-N 119.357 -2.09 . . . . 0.0 115.197 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 20.9 mt -106.14 159.45 16.07 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -77.58 119.68 21.47 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.982 170.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 9.4 ttp -54.84 -20.81 9.51 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 119.806 -1.809 . . . . 0.0 112.855 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -65.93 -25.13 67.0 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 130.893 3.677 . . . . 0.0 111.397 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -93.41 -3.54 53.0 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 119.835 -1.791 . . . . 0.0 111.958 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' B' ' 60' ' ' PHE . 2.5 pt -127.18 146.92 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.822 0 O-C-N 119.977 -1.702 . . . . 0.0 111.253 -171.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -108.9 106.89 17.07 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 127.186 2.194 . . . . 0.0 108.025 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' B' ' 58' ' ' ILE . 86.3 m-85 -80.48 131.9 35.63 Favored 'General case' 0 CA--C 1.626 3.868 0 O-C-N 126.196 2.185 . . . . 0.0 107.569 173.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -143.7 167.32 22.55 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -159.63 136.74 9.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.398 2.279 . . . . 0.0 109.169 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t0 56.78 26.4 11.43 Favored 'General case' 0 CA--C 1.589 2.455 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.83 -11.04 6.31 Favored Glycine 0 N--CA 1.5 2.91 0 O-C-N 119.21 -2.181 . . . . 0.0 115.26 -171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -95.1 148.17 34.23 Favored Pre-proline 0 C--N 1.375 1.704 0 O-C-N 121.042 -1.269 . . . . 0.0 112.75 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -62.49 147.96 94.05 Favored 'Trans proline' 0 C--O 1.291 3.143 1 C-N-CA 127.579 5.519 . . . . 0.0 113.585 173.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 30.0 mt -82.44 150.24 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 125.898 1.999 . . . . 0.0 110.189 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -106.6 159.84 15.89 Favored 'General case' 0 C--O 1.261 1.703 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 168.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' B' ' 41' ' ' SER . 34.8 mt-10 -59.41 -24.42 63.45 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 19.8 p -93.6 -17.41 23.34 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.25 131.0 49.7 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-O 123.197 1.475 . . . . 0.0 114.571 -176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -115.29 159.57 37.63 Favored Pre-proline 0 C--O 1.24 0.596 0 C-N-CA 129.289 3.036 . . . . 0.0 114.012 168.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -54.62 -31.05 68.68 Favored 'Trans proline' 0 N--CA 1.425 -2.551 0 C-N-CA 124.505 3.47 . . . . 0.0 116.921 167.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.08 -66.27 0.46 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 118.27 0.486 . . . . 0.0 110.407 163.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -47.3 -36.16 8.91 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 129.219 3.007 . . . . 0.0 115.862 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.261 12.9 mt -93.31 5.03 52.94 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 126.397 2.311 . . . . 0.0 112.068 175.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.272 27.3 mm-40 48.9 20.62 0.37 Allowed 'General case' 0 N--CA 1.509 2.52 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 -174.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtt -45.3 149.47 0.52 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 120.107 3.373 . . . . 0.0 120.107 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -93.61 164.42 13.17 Favored 'General case' 0 CA--C 1.574 1.893 0 C-N-CA 126.641 1.976 . . . . 0.0 110.285 168.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 160.46 26.69 Favored 'General case' 0 CA--C 1.584 2.282 0 CA-C-O 125.65 2.643 . . . . 0.0 114.399 171.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 59.23 45.1 14.7 Favored 'General case' 0 CA--C 1.465 -2.319 1 CA-C-O 128.725 4.107 . . . . 0.0 118.844 163.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -131.17 174.45 10.02 Favored 'General case' 0 CA--C 1.587 2.4 1 O-C-N 115.558 -4.464 . . . . 0.0 110.57 -162.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 65.2 m -118.49 141.26 48.74 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.562 1.945 . . . . 0.0 111.702 -173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.48 131.99 43.15 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 C-N-CA 127.073 2.149 . . . . 0.0 113.284 154.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -98.1 141.91 30.46 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 125.027 1.331 . . . . 0.0 114.557 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.1 140.51 48.87 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.168 0 C-N-CA 127.554 2.342 . . . . 0.0 107.562 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -133.38 131.72 40.37 Favored 'General case' 0 CA--C 1.605 3.07 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 -167.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -75.23 151.18 38.44 Favored 'General case' 0 CA--C 1.557 1.217 0 O-C-N 119.84 -1.787 . . . . 0.0 109.669 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -115.66 88.34 2.86 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 117.293 -3.38 . . . . 0.0 112.242 -174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -82.46 49.64 1.49 Allowed 'General case' 0 C--N 1.366 1.311 0 O-C-N 119.65 -1.906 . . . . 0.0 114.459 -176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.7 p -53.14 153.33 3.71 Favored 'General case' 0 C--O 1.172 -2.98 0 O-C-N 119.891 -1.756 . . . . 0.0 113.244 -173.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.34 -168.39 42.13 Favored Glycine 0 CA--C 1.562 3.025 0 CA-C-O 122.677 1.154 . . . . 0.0 113.532 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.15 174.36 44.23 Favored Glycine 0 CA--C 1.572 3.627 0 C-N-CA 125.938 1.732 . . . . 0.0 117.197 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.33 69.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.249 0 C-N-CA 127.111 2.164 . . . . 0.0 112.873 160.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 CA-C-N 112.74 -2.027 . . . . 0.0 113.621 -164.635 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -102.67 -43.11 5.69 Favored 'General case' 0 CA--C 1.492 -1.271 0 C-N-CA 125.91 1.684 . . . . 0.0 114.553 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.15 34.99 0.42 Allowed 'General case' 0 C--O 1.274 2.393 0 O-C-N 127.871 3.232 . . . . 0.0 113.643 -174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 41.65 0.47 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -138.15 128.86 26.69 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 116.005 -1.95 . . . . 0.0 110.242 -171.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -138.28 145.44 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 127.538 2.335 . . . . 0.0 109.729 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.4 104.51 4.02 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.391 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -163.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mt -127.24 157.05 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.119 0 CA-C-O 115.414 -2.231 . . . . 0.0 108.87 -167.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.516 ' HA ' ' HE3' ' B' ' 42' ' ' LYS . 18.1 t0 -102.46 -28.29 12.29 Favored 'General case' 0 CA--C 1.61 3.252 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.494 -163.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -153.47 136.14 15.23 Favored 'General case' 0 C--O 1.266 1.922 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.04 159.79 13.9 Favored Glycine 0 CA--C 1.569 3.419 0 O-C-N 118.588 -2.57 . . . . 0.0 115.36 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -114.6 130.13 56.75 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 127.364 2.266 . . . . 0.0 111.772 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.547 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.518 2.943 0 CA-C-O 123.67 1.7 . . . . 0.0 108.679 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 147.2 37.19 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 118.286 -2.759 . . . . 0.0 112.824 -164.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -63.54 113.82 3.54 Favored 'General case' 0 CA--C 1.486 -1.502 0 C-N-CA 126.767 2.027 . . . . 0.0 114.699 -169.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.94 143.1 3.72 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -160.08 146.07 11.74 Favored Pre-proline 0 N--CA 1.522 3.173 0 O-C-N 116.939 -3.6 . . . . 0.0 111.445 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -60.99 168.97 6.51 Favored 'Trans proline' 0 N--CA 1.423 -2.672 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -130.75 147.58 52.43 Favored 'General case' 0 CA--C 1.623 3.781 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 -172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -95.8 126.77 41.29 Favored 'General case' 0 CA--C 1.602 2.967 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 156.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.65 -42.76 8.84 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 125.124 1.515 . . . . 0.0 112.24 -168.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.51 142.13 12.32 Favored 'Isoleucine or valine' 0 C--O 1.258 1.522 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.276 75.7 tttt -161.58 145.64 12.87 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 116.025 -2.27 . . . . 0.0 110.292 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.7 p -49.26 -23.57 1.43 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 129.393 3.077 . . . . 0.0 111.329 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -95.72 8.08 44.49 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -80.89 1.42 30.94 Favored 'General case' 0 C--O 1.261 1.686 0 C-N-CA 128.618 2.767 . . . . 0.0 113.101 168.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.258 64.5 t-20 -74.05 146.67 43.5 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 115.743 -4.348 . . . . 0.0 109.483 -166.475 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -109.86 132.46 54.13 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 121.505 1.957 . . . . 0.0 110.054 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -70.14 151.0 45.93 Favored 'General case' 0 C--O 1.254 1.31 0 CA-C-O 128.333 3.92 . . . . 0.0 110.872 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 tt -96.81 143.8 11.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 111.651 -2.522 . . . . 0.0 107.662 168.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -121.92 112.99 18.98 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 119.681 -1.887 . . . . 0.0 108.871 -171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -120.36 107.81 13.38 Favored 'General case' 0 CA--C 1.608 3.186 0 C-N-CA 126.28 1.832 . . . . 0.0 108.753 -163.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' B' ' 31' ' ' GLN . 45.5 mttm -74.54 148.14 41.17 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.397 -0.814 . . . . 0.0 110.026 172.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -132.74 118.42 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 131.407 3.883 . . . . 0.0 110.372 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.46 120.27 14.37 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-O 126.791 3.186 . . . . 0.0 110.768 -167.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.72 156.35 44.25 Favored Glycine 0 N--CA 1.509 3.501 0 O-C-N 118.103 -2.873 . . . . 0.0 114.887 170.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -77.58 -4.96 48.46 Favored 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 118.326 1.063 . . . . 0.0 111.871 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.74 -16.68 40.79 Favored 'General case' 0 C--O 1.198 -1.615 1 C-N-CA 135.085 5.354 . . . . 0.0 109.393 178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.27 0.97 56.91 Favored Glycine 0 C--O 1.215 -1.073 0 CA-C-N 122.242 2.292 . . . . 0.0 112.485 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -61.08 134.73 57.36 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-N 121.854 2.827 . . . . 0.0 108.374 161.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -150.1 132.21 5.89 Favored 'Isoleucine or valine' 0 C--N 1.368 1.372 0 C-N-CA 127.956 2.502 . . . . 0.0 111.066 177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.68 156.7 38.3 Favored 'Isoleucine or valine' 0 C--N 1.383 2.045 0 C-N-CA 128.761 2.824 . . . . 0.0 110.584 166.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' B' ' 21' ' ' LYS . 33.2 tt0 -122.85 117.47 25.7 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -90.47 127.97 36.38 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.697 1.599 . . . . 0.0 115.049 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.351 72.1 tttt -102.48 89.6 3.59 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.022 1.329 . . . . 0.0 108.774 172.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.514 HG21 HD11 ' B' ' 43' ' ' LEU . 6.7 pt -118.37 179.64 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.173 -2.974 0 C-N-CA 124.366 1.067 . . . . 0.0 113.315 -177.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -104.99 156.76 17.75 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 118.169 -2.832 . . . . 0.0 106.836 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' B' ' 74' ' ' ALA . 42.6 ttp85 -63.22 -18.69 63.8 Favored 'General case' 0 N--CA 1.537 3.892 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -165.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -100.24 -3.12 32.16 Favored 'General case' 0 CA--C 1.581 2.149 0 C-N-CA 129.462 3.105 . . . . 0.0 117.557 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.433 ' HB ' HD12 ' B' ' 34' ' ' ILE . 8.9 m -69.08 134.15 89.64 Favored Pre-proline 0 N--CA 1.532 3.647 0 O-C-N 119.531 -1.981 . . . . 0.0 107.817 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.29 153.7 21.43 Favored 'Trans proline' 0 N--CA 1.511 2.509 1 C-N-CA 125.433 4.088 . . . . 0.0 113.546 -174.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.27 77.1 mt -84.16 -22.49 30.97 Favored 'General case' 0 C--O 1.202 -1.431 0 C-N-CA 126.241 1.816 . . . . 0.0 112.474 -171.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 13.2 p -41.49 -46.65 3.54 Favored 'General case' 0 C--O 1.275 2.425 0 O-C-N 118.838 -2.414 . . . . 0.0 113.22 162.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 45' ' ' ASP . 66.1 mttm -59.62 -39.31 83.88 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 129.001 3.938 . . . . 0.0 116.903 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.514 HD11 HG21 ' B' ' 34' ' ' ILE . 7.7 mp -73.53 -48.9 29.49 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 129.285 3.034 . . . . 0.0 108.462 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.4 mtp -62.91 -49.0 76.53 Favored 'General case' 0 CA--C 1.581 2.152 0 C-N-CA 124.781 1.233 . . . . 0.0 110.176 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -58.6 -45.03 90.0 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 122.818 0.447 . . . . 0.0 111.724 169.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.47 95.2 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 119.494 -2.004 . . . . 0.0 113.375 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -54.39 -51.17 65.71 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.389 -2.069 . . . . 0.0 116.553 164.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 47.6 t -66.06 -43.44 87.4 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 112.443 -2.162 . . . . 0.0 111.944 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -56.66 -50.51 71.88 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.272 0.629 . . . . 0.0 111.77 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . 0.255 55.1 mtt180 -54.72 -39.32 68.1 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 119.66 3.207 . . . . 0.0 119.66 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . 0.351 32.7 mm-40 -82.99 -7.32 59.68 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 110.313 -3.13 . . . . 0.0 116.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.47 39.32 96.17 Favored Glycine 1 CA--C 1.583 4.33 0 C-N-CA 129.089 3.233 . . . . 0.0 114.806 -172.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 34.7 mt -94.83 146.7 24.02 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 -173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 133.59 39.24 Favored 'General case' 0 C--O 1.273 2.328 0 C-N-CA 116.737 -1.985 . . . . 0.0 111.189 158.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 19.0 ttp -68.7 -32.21 71.86 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 117.614 -1.634 . . . . 0.0 114.35 -170.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -51.44 -33.13 29.44 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.597 1.811 . . . . 0.0 111.844 174.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -13.24 53.48 Favored 'General case' 1 N--CA 1.556 4.828 0 O-C-N 120.083 -1.636 . . . . 0.0 110.057 -166.463 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' B' ' 60' ' ' PHE . 11.8 pt -110.19 175.82 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.585 2.305 0 CA-C-N 122.95 2.614 . . . . 0.0 113.351 172.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.3 mmt-85 -146.93 155.92 42.66 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 128.708 2.803 . . . . 0.0 105.709 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 58' ' ' ILE . 88.5 m-85 -120.79 140.36 51.83 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 -172.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -125.86 153.65 43.84 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 128.292 3.495 . . . . 0.0 107.795 172.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -144.83 145.12 31.48 Favored 'General case' 0 N--CA 1.39 -3.443 0 CA-C-O 114.641 -2.6 . . . . 0.0 113.434 154.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t0 52.05 26.0 3.52 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-N 123.619 2.918 . . . . 0.0 112.603 -172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.62 -11.15 69.34 Favored Glycine 0 CA--C 1.56 2.892 0 CA-C-O 115.173 -3.015 . . . . 0.0 110.981 -174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -116.41 146.61 37.79 Favored Pre-proline 0 CA--C 1.599 2.838 0 C-N-CA 127.765 2.426 . . . . 0.0 116.228 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -75.3 141.38 25.74 Favored 'Trans proline' 0 CA--C 1.57 2.324 0 C-N-CA 124.484 3.456 . . . . 0.0 114.964 -168.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 36.0 mt -86.47 135.94 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 125.429 1.706 . . . . 0.0 107.661 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -81.22 154.97 26.36 Favored 'General case' 0 C--N 1.263 -3.187 0 C-N-CA 126.949 2.099 . . . . 0.0 113.918 167.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -63.93 -9.01 13.06 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -106.95 -5.93 17.87 Favored 'General case' 0 N--CA 1.523 3.222 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 170.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -68.34 130.49 43.05 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.449 1.931 . . . . 0.0 112.193 -166.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -99.59 153.41 37.79 Favored Pre-proline 0 C--N 1.27 -2.86 0 C-N-CA 126.465 1.906 . . . . 0.0 113.487 164.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.32 -29.33 89.97 Favored 'Trans proline' 0 C--N 1.398 3.182 0 C-N-CA 123.593 2.862 . . . . 0.0 110.365 171.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' B' ' 36' ' ' ARG . . . -58.83 -51.12 71.34 Favored 'General case' 0 N--CA 1.509 2.477 1 CA-C-N 126.847 4.385 . . . . 0.0 109.949 167.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -66.8 -33.29 75.29 Favored 'General case' 0 CA--C 1.569 1.674 0 O-C-N 120.941 -1.099 . . . . 0.0 112.374 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' B' ' 76' ' ' LEU . 43.1 mt -87.38 -6.89 58.28 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.337 -2.102 . . . . 0.0 111.444 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 58.71 35.93 24.64 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 130.541 3.536 . . . . 0.0 109.708 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -62.73 146.46 52.32 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 116.719 -3.738 . . . . 0.0 109.989 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -104.82 169.17 8.6 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.275 -1.516 . . . . 0.0 108.732 167.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -63.84 139.27 58.75 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 113.825 -2.988 . . . . 0.0 116.64 171.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.348 0.4 OUTLIER 74.89 -4.51 2.35 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 127.85 3.219 . . . . 0.0 119.01 -169.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -65.19 153.09 41.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 122.331 1.063 . . . . 0.0 112.297 167.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -130.89 129.11 41.83 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -161.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.9 141.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 1 C-N-CA 132.978 4.511 . . . . 0.0 107.406 -169.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -120.08 156.39 31.07 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.57 139.44 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 123.726 0.811 . . . . 0.0 112.469 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -141.83 124.09 15.6 Favored 'General case' 0 C--O 1.285 2.973 0 CA-C-O 116.061 -1.923 . . . . 0.0 112.304 -167.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.11 163.66 24.29 Favored 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.684 3.115 . . . . 0.0 118.131 169.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -138.66 118.89 13.57 Favored 'General case' 0 N--CA 1.514 2.75 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -170.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -94.5 52.47 1.55 Allowed 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 124.533 1.133 . . . . 0.0 108.134 -159.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 14.0 p -64.68 144.84 56.95 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 130.09 3.356 . . . . 0.0 107.354 163.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.84 -175.18 41.82 Favored Glycine 0 C--N 1.34 0.766 0 N-CA-C 118.166 2.027 . . . . 0.0 118.166 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.7 -162.0 31.33 Favored Glycine 0 CA--C 1.577 3.924 0 CA-C-N 110.335 -2.933 . . . . 0.0 112.692 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.4 t -97.99 86.14 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.189 -2.118 0 C-N-CA 126.42 1.888 . . . . 0.0 112.876 171.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.373 1.619 1 O-C-N 116.016 -4.177 . . . . 0.0 111.359 -159.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.196 -1.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -60.07 -36.56 77.62 Favored 'General case' 0 C--O 1.194 -1.831 0 C-N-CA 125.02 1.328 . . . . 0.0 113.069 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -84.94 44.49 1.08 Allowed 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 126.994 2.683 . . . . 0.0 110.493 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.71 54.14 0.24 Allowed 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.999 2.592 . . . . 0.0 117.999 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.39 135.83 5.26 Favored 'General case' 0 CA--C 1.62 3.65 0 C-N-CA 118.739 -1.184 . . . . 0.0 112.812 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.39 148.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 128.184 2.593 . . . . 0.0 105.327 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 t -151.14 106.92 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 118.171 -2.83 . . . . 0.0 107.861 -165.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.6 137.26 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 C-N-CA 130.002 3.321 . . . . 0.0 109.095 -169.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.77 -55.39 5.03 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 117.95 -2.969 . . . . 0.0 112.081 -168.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -169.53 151.65 4.48 Favored 'General case' 0 CA--C 1.582 2.206 0 CA-C-N 111.502 -2.59 . . . . 0.0 107.42 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.2 -166.67 30.05 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 117.245 1.658 . . . . 0.0 117.245 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -39.35 95.14 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 130.525 3.53 . . . . 0.0 115.344 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.513 2.709 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -48.73 158.17 0.33 Allowed 'General case' 0 N--CA 1.51 2.53 0 C-N-CA 127.307 2.243 . . . . 0.0 114.056 153.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -76.35 151.49 36.63 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 128.074 2.55 . . . . 0.0 109.702 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -153.02 124.62 7.73 Favored 'General case' 0 C--O 1.25 1.106 0 C-N-CA 126.944 2.098 . . . . 0.0 113.734 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -146.99 116.56 4.46 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 128.328 2.651 . . . . 0.0 117.805 171.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.58 161.36 44.26 Favored 'Trans proline' 0 CA--C 1.594 3.507 1 C-N-CA 125.851 4.367 . . . . 0.0 113.482 173.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.255 80.1 tttt -75.68 136.32 40.4 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 177.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 9' ' ' GLY . 15.8 tt0 -73.25 149.5 42.74 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 129.578 3.151 . . . . 0.0 118.982 -177.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.424 ' H ' ' HG3' ' B' ' 8' ' ' GLU . . . -68.47 -52.05 28.25 Favored Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 127.569 2.509 . . . . 0.0 109.044 -153.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.7 t -141.34 122.75 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 131.448 3.899 . . . . 0.0 113.918 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -76.17 144.51 40.48 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 125.734 1.614 . . . . 0.0 112.099 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 43.0 p -46.99 -24.63 0.64 Allowed 'General case' 0 C--O 1.245 0.822 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.52 -6.07 55.21 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . 0.263 1.4 m120 -64.33 -26.94 68.7 Favored 'General case' 0 C--O 1.207 -1.171 0 CA-C-O 114.233 -2.794 . . . . 0.0 112.047 -168.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -65.74 80.51 0.07 Allowed 'General case' 0 CA--C 1.579 2.085 1 C-N-CA 136.396 5.878 . . . . 0.0 111.164 163.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -67.34 158.42 31.65 Favored 'General case' 0 CA--C 1.589 2.476 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 -164.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -61.82 161.51 10.19 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 120.946 3.684 . . . . 0.0 120.946 175.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.283 16.5 tt -121.48 145.39 28.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 C-N-CA 127.69 2.396 . . . . 0.0 112.821 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -123.59 75.35 1.33 Allowed 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.084 -2.26 . . . . 0.0 109.005 -160.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -87.28 -179.24 6.38 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.833 -1.53 . . . . 0.0 111.995 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -138.74 158.5 44.12 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.97 127.79 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 126.33 1.852 . . . . 0.0 107.792 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.59 145.66 31.07 Favored 'General case' 0 CA--C 1.584 2.273 0 N-CA-C 120.074 3.361 . . . . 0.0 120.074 -169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -147.95 176.33 26.83 Favored Glycine 0 CA--C 1.573 3.701 0 N-CA-C 122.746 3.858 . . . . 0.0 122.746 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . 0.297 48.6 mm-40 -74.79 -13.83 60.63 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 125.341 2.496 . . . . 0.0 116.902 -157.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -76.2 -9.43 58.63 Favored 'General case' 0 N--CA 1.417 -2.076 0 O-C-N 117.121 -3.487 . . . . 0.0 111.984 167.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -8.18 45.34 Favored Glycine 0 N--CA 1.421 -2.365 0 CA-C-N 119.693 1.133 . . . . 0.0 113.468 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -65.15 150.39 48.24 Favored 'General case' 0 C--O 1.284 2.881 0 CA-C-O 118.378 -0.82 . . . . 0.0 108.89 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -158.11 145.5 8.96 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.855 1 C-N-CA 131.878 4.071 . . . . 0.0 113.132 172.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -147.56 153.28 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.888 0 C-N-CA 126.039 1.736 . . . . 0.0 113.15 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -97.4 132.57 42.99 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.443 1.097 . . . . 0.0 113.738 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.27 144.07 32.56 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.873 2.069 . . . . 0.0 112.841 166.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -114.75 117.39 30.66 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 129.157 2.983 . . . . 0.0 112.413 166.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.306 29.4 pt -140.35 179.44 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.158 0 C-N-CA 127.609 2.364 . . . . 0.0 110.088 -167.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -106.75 157.46 17.71 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 128.342 2.657 . . . . 0.0 106.203 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -46.02 -33.36 3.34 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-O 114.419 -2.705 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -109.08 16.17 22.75 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.927 1.694 . . . . 0.0 114.075 -166.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 67.5 m -87.47 124.76 67.35 Favored Pre-proline 0 N--CA 1.485 1.312 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -77.61 157.13 32.12 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 CA-C-N 121.426 1.545 . . . . 0.0 111.705 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.41 -17.56 48.48 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.113 -167.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -43.82 -37.9 3.02 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 121.13 3.752 . . . . 0.0 121.13 161.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -64.09 -40.46 96.27 Favored 'General case' 0 C--O 1.287 3.037 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.592 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.66 -44.36 67.26 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 127.042 2.714 . . . . 0.0 114.089 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 39.8 mtm -59.16 -37.03 76.34 Favored 'General case' 0 CA--C 1.566 1.573 0 O-C-N 124.945 1.403 . . . . 0.0 108.472 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -64.84 -55.82 17.2 Favored 'General case' 0 N--CA 1.514 2.759 0 O-C-N 119.208 -2.182 . . . . 0.0 114.249 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.58 78.06 Favored 'General case' 0 C--N 1.285 -2.211 1 O-C-N 129.86 4.475 . . . . 0.0 115.588 -175.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.42 -38.28 90.53 Favored 'General case' 0 C--O 1.207 -1.167 0 C-N-CA 127.025 2.13 . . . . 0.0 111.984 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.1 t -74.03 -37.67 64.27 Favored 'General case' 0 N--CA 1.409 -2.491 0 CA-C-O 124.13 1.919 . . . . 0.0 111.857 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.44 -48.55 77.29 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 116.553 -3.842 . . . . 0.0 108.765 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.58 -43.11 68.27 Favored 'General case' 0 C--N 1.369 1.441 0 CA-C-N 120.709 1.595 . . . . 0.0 111.015 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.1 -7.36 58.86 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.828 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.77 29.48 54.72 Favored Glycine 1 CA--C 1.598 5.219 0 N-CA-C 118.471 2.149 . . . . 0.0 118.471 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 mt -126.66 158.31 36.7 Favored 'General case' 0 C--O 1.269 2.111 0 CA-C-N 120.1 1.95 . . . . 0.0 113.089 -159.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -73.91 139.77 45.18 Favored 'General case' 0 CA--C 1.578 2.04 1 O-C-N 116.229 -4.044 . . . . 0.0 113.089 159.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 31.9 ttm -57.98 -39.86 79.26 Favored 'General case' 0 N--CA 1.521 3.102 0 O-C-N 118.996 -2.315 . . . . 0.0 111.056 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -63.36 -23.25 67.33 Favored 'General case' 0 CA--C 1.577 1.991 0 C-N-CA 127.921 2.489 . . . . 0.0 110.744 -170.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -91.05 2.98 55.91 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . 0.294 9.2 pt -134.03 159.27 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.484 0 O-C-N 116.89 -3.632 . . . . 0.0 112.57 178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -130.72 121.15 24.95 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 127.464 2.306 . . . . 0.0 111.255 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -93.18 127.38 38.72 Favored 'General case' 0 CA--C 1.561 1.375 0 O-C-N 127.251 2.844 . . . . 0.0 111.149 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.25 78.3 mtt180 -127.51 148.19 50.32 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 118.705 -2.497 . . . . 0.0 112.628 -167.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -151.38 149.68 29.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 112.915 -1.948 . . . . 0.0 113.948 162.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.287 13.3 t0 59.02 17.65 5.62 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.24 14.81 70.71 Favored Glycine 0 C--O 1.277 2.806 0 N-CA-C 117.227 1.651 . . . . 0.0 117.227 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -136.15 148.95 66.65 Favored Pre-proline 0 N--CA 1.474 0.739 0 O-C-N 125.87 1.571 . . . . 0.0 110.232 -163.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -58.79 141.15 97.63 Favored 'Trans proline' 0 CA--C 1.597 3.634 0 C-N-CA 122.551 2.167 . . . . 0.0 116.829 163.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -78.45 134.23 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.66 144.59 25.95 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 113.066 -3.349 . . . . 0.0 114.695 165.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -57.48 -9.7 1.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 CA-C-N 124.141 3.155 . . . . 0.0 114.677 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.1 p -97.46 -8.93 28.2 Favored 'General case' 0 C--O 1.252 1.229 0 CA-C-N 122.797 2.544 . . . . 0.0 115.367 170.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.16 144.47 57.1 Favored 'General case' 0 CA--C 1.584 2.255 1 O-C-N 114.743 -4.973 . . . . 0.0 117.567 172.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 18.9 p -138.1 159.57 67.77 Favored Pre-proline 0 C--O 1.252 1.21 1 O-C-N 114.979 -4.825 . . . . 0.0 108.063 -176.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 46.0 Cg_exo -51.7 -37.61 64.79 Favored 'Trans proline' 0 C--N 1.363 1.29 1 C-N-CA 126.599 4.866 . . . . 0.0 111.224 177.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.51 97.08 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 114.636 -2.602 . . . . 0.0 113.167 169.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.424 34.7 tp60 -62.51 -31.42 72.18 Favored 'General case' 0 C--O 1.192 -1.944 0 O-C-N 126.151 2.157 . . . . 0.0 110.351 -177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 mt -119.06 24.09 11.0 Favored 'General case' 1 N--CA 1.551 4.58 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.04 -173.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.317 27.8 mm-40 67.56 29.6 7.07 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.934 2.568 . . . . 0.0 117.934 163.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mtp -79.27 155.32 28.58 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 123.573 1.654 . . . . 0.0 113.759 -166.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -127.02 173.64 9.5 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 125.931 1.692 . . . . 0.0 111.082 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -55.16 147.69 15.77 Favored 'General case' 0 C--O 1.199 -1.585 0 O-C-N 119.393 -2.067 . . . . 0.0 112.253 167.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.341 42.8 mt-10 62.0 3.47 0.96 Allowed 'General case' 0 C--O 1.256 1.397 0 O-C-N 118.377 -2.702 . . . . 0.0 118.043 -172.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -75.82 145.76 40.42 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 119.165 0.893 . . . . 0.0 109.448 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -136.06 118.26 15.53 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 126.729 3.156 . . . . 0.0 107.078 -157.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.94 131.6 34.5 Favored 'Isoleucine or valine' 0 CA--C 1.622 3.725 0 C-N-CA 127.65 2.38 . . . . 0.0 109.304 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -100.91 124.57 46.8 Favored 'General case' 0 C--O 1.19 -2.063 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 50.3 t -83.83 123.44 38.85 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.436 0 CA-C-O 124.794 2.235 . . . . 0.0 111.02 161.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -106.78 147.61 29.47 Favored 'General case' 0 C--O 1.29 3.209 0 CA-C-N 112.528 -2.124 . . . . 0.0 114.388 165.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -75.75 162.05 28.52 Favored 'General case' 0 C--O 1.193 -1.92 0 N-CA-C 118.575 2.806 . . . . 0.0 118.575 169.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.78 146.01 48.63 Favored 'General case' 0 C--O 1.255 1.346 0 O-C-N 116.88 -3.637 . . . . 0.0 105.466 170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -114.07 25.15 11.37 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 126.135 2.147 . . . . 0.0 113.486 -158.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 30.9 p -47.5 144.41 3.08 Favored 'General case' 0 C--O 1.194 -1.858 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.12 -156.91 18.57 Favored Glycine 0 N--CA 1.476 1.345 0 C-N-CA 126.977 2.227 . . . . 0.0 111.807 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.28 159.95 8.26 Favored Glycine 0 C--O 1.285 3.336 0 C-N-CA 127.31 2.386 . . . . 0.0 113.838 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.25 104.82 12.33 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 0 C-N-CA 125.207 1.403 . . . . 0.0 108.444 -176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 . . . . . 0 C--N 1.375 1.709 0 O-C-N 127.891 3.244 . . . . 0.0 114.898 -168.799 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -48.62 -4.69 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.4 1 O-C-N 132.252 5.97 . . . . 0.0 113.958 . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -87.44 43.37 1.1 Allowed 'General case' 0 CA--C 1.587 2.371 0 CA-C-O 125.033 2.349 . . . . 0.0 114.195 -168.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.63 52.53 2.12 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -168.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -157.99 135.12 10.07 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 123.492 1.615 . . . . 0.0 107.126 -168.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.4 mp -144.31 136.68 22.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 O-C-N 118.228 -2.795 . . . . 0.0 105.933 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -133.19 110.1 14.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 O-C-N 126.142 2.151 . . . . 0.0 113.677 -168.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mt -138.43 135.76 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.623 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.51 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -95.49 -53.58 3.69 Favored 'General case' 0 CA--C 1.576 1.945 0 CA-C-N 124.448 3.295 . . . . 0.0 111.861 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -160.32 139.93 11.06 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 129.581 3.152 . . . . 0.0 106.625 -168.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.92 -152.21 23.78 Favored Glycine 0 C--N 1.383 3.147 0 CA-C-N 111.566 -2.561 . . . . 0.0 117.151 -174.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.7 134.77 36.02 Favored 'General case' 0 N--CA 1.521 3.124 0 CA-C-N 120.271 2.036 . . . . 0.0 112.274 -173.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 CA-C-N 116.411 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.059 0 N-CA-C 100.305 -3.961 . . . . 0.0 100.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.74 163.19 20.36 Favored 'General case' 0 C--O 1.298 3.605 1 O-C-N 115.907 -4.246 . . . . 0.0 113.463 169.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -77.22 110.94 12.33 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 125.295 1.622 . . . . 0.0 115.225 -161.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -136.08 52.64 1.97 Allowed 'General case' 0 N--CA 1.416 -2.172 0 C-N-CA 128.514 2.725 . . . . 0.0 108.683 171.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.77 138.34 70.68 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-O 114.21 -2.805 . . . . 0.0 110.538 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -56.81 137.43 81.42 Favored 'Trans proline' 0 C--O 1.192 -1.803 0 C-N-CA 124.784 3.656 . . . . 0.0 114.933 163.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -67.23 150.37 49.17 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 113.164 -3.303 . . . . 0.0 110.919 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.48 141.62 51.98 Favored 'General case' 0 CA--C 1.625 3.836 0 O-C-N 126.034 2.084 . . . . 0.0 112.776 -172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.15 -63.33 1.67 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 118.78 -1.676 . . . . 0.0 112.783 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.51 141.62 25.3 Favored 'Isoleucine or valine' 0 C--N 1.382 1.998 0 CA-C-O 116.791 -1.575 . . . . 0.0 110.251 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.586 ' HG2' ' H ' ' B' ' 12' ' ' THR . 72.6 tttt -146.93 -156.6 0.73 Allowed 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 -165.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.586 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 41.2 p -117.51 6.62 12.56 Favored 'General case' 0 N--CA 1.516 2.834 1 O-C-N 114.17 -5.331 . . . . 0.0 115.584 172.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -110.51 24.08 13.43 Favored 'General case' 1 N--CA 1.546 4.33 1 O-C-N 116.176 -4.078 . . . . 0.0 114.948 -172.955 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -96.0 6.15 49.52 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -166.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.0 141.67 42.1 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.67 -1.894 . . . . 0.0 107.971 170.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.277 17.6 m-20 -109.09 122.96 48.39 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 128.309 2.643 . . . . 0.0 114.779 175.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -67.98 138.28 55.79 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 123.818 3.008 . . . . 0.0 115.206 -163.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 8.7 tt -97.23 141.81 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 CA-C-O 124.727 2.204 . . . . 0.0 109.464 168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -127.36 102.02 6.72 Favored 'General case' 0 N--CA 1.511 2.575 0 CA-C-N 111.568 -2.56 . . . . 0.0 108.265 -163.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -106.52 165.38 11.32 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.59 -2.55 . . . . 0.0 106.636 -172.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -124.06 158.36 32.38 Favored 'General case' 0 C--O 1.264 1.853 0 CA-C-N 113.556 -1.657 . . . . 0.0 107.252 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -138.69 128.27 31.94 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 O-C-N 124.932 1.395 . . . . 0.0 113.071 175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.303 . . -133.91 134.6 42.84 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.71 1.204 . . . . 0.0 111.123 -162.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.16 -173.34 12.07 Favored Glycine 0 CA--C 1.576 3.868 0 N-CA-C 116.645 1.418 . . . . 0.0 116.645 169.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.29 -16.32 40.47 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 130.312 3.445 . . . . 0.0 110.128 154.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 56.7 p30 -77.78 -30.74 51.52 Favored 'General case' 0 CA--C 1.579 2.083 0 CA-C-O 127.045 3.307 . . . . 0.0 112.172 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.74 7.94 16.82 Favored Glycine 0 CA--C 1.559 2.788 1 O-C-N 114.637 -5.04 . . . . 0.0 110.824 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -77.88 139.55 39.26 Favored 'General case' 1 N--CA 1.548 4.444 0 O-C-N 125.952 1.619 . . . . 0.0 114.406 168.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 59.5 t -138.35 137.39 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 CA-C-N 120.215 1.37 . . . . 0.0 110.586 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -112.51 173.27 2.75 Favored 'Isoleucine or valine' 0 C--O 1.271 2.218 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 165.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -121.62 135.57 54.98 Favored 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 128.847 2.859 . . . . 0.0 111.056 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -111.05 113.9 26.79 Favored 'General case' 0 C--O 1.185 -2.301 0 O-C-N 128.794 3.809 . . . . 0.0 113.207 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -87.5 114.3 23.99 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 121.67 0.748 . . . . 0.0 111.74 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.0 pt -142.71 -179.92 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.258 1.55 0 C-N-CA 131.193 3.797 . . . . 0.0 111.893 -173.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.259 82.2 mttt -113.32 160.56 18.22 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.012 -1.68 . . . . 0.0 106.976 175.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.264 34.5 ttt85 -48.54 -36.69 15.96 Favored 'General case' 0 N--CA 1.528 3.459 0 C-N-CA 125.159 1.384 . . . . 0.0 113.493 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -101.72 19.86 17.35 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 129.226 3.01 . . . . 0.0 117.976 174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -65.05 116.59 31.34 Favored Pre-proline 0 N--CA 1.518 2.95 0 N-CA-C 118.619 2.822 . . . . 0.0 118.619 158.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' B' ' 72' ' ' THR . 33.4 Cg_endo -62.16 138.59 73.29 Favored 'Trans proline' 0 C--N 1.387 2.592 0 CA-C-N 124.174 2.527 . . . . 0.0 111.642 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' B' ' 43' ' ' LEU . 49.1 mt -68.65 -17.3 64.07 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.36 1.464 . . . . 0.0 110.116 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -53.0 -40.19 63.64 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 118.128 -2.857 . . . . 0.0 111.339 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -69.04 -32.55 72.13 Favored 'General case' 0 CA--C 1.594 2.637 0 C-N-CA 125.912 1.685 . . . . 0.0 109.449 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' B' ' 40' ' ' LEU . 5.6 mp -73.95 -48.67 28.9 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 128.322 2.649 . . . . 0.0 110.135 174.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 58.1 mtm -52.91 -56.6 14.7 Favored 'General case' 0 N--CA 1.52 3.074 0 O-C-N 118.099 -2.875 . . . . 0.0 111.706 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . 0.282 76.1 mttt -43.11 -56.71 3.26 Favored 'General case' 0 N--CA 1.506 2.369 0 C-N-CA 126.469 1.908 . . . . 0.0 111.414 166.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.11 78.79 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -71.1 -33.1 69.85 Favored 'General case' 0 C--O 1.181 -2.542 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -68.49 -28.91 67.44 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 119.537 -1.977 . . . . 0.0 108.899 -177.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.62 -33.68 60.54 Favored 'General case' 0 C--N 1.367 1.34 0 C-N-CA 128.617 2.767 . . . . 0.0 110.297 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -68.7 -21.34 64.42 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 118.787 -2.445 . . . . 0.0 112.436 171.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 166.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.48 41.73 11.06 Favored Glycine 0 N--CA 1.491 2.321 0 CA-C-O 124.886 2.381 . . . . 0.0 111.515 172.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -111.92 169.15 9.04 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.873 2.069 . . . . 0.0 110.398 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 t -88.47 146.34 25.26 Favored 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 165.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 21.0 ttm -71.26 -15.38 62.43 Favored 'General case' 0 C--O 1.178 -2.674 0 O-C-N 117.847 -3.033 . . . . 0.0 109.186 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -58.05 -34.26 69.9 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -100.06 7.02 44.98 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -167.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 38.3 pt -132.32 171.21 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.818 0 C-N-CA 123.959 0.904 . . . . 0.0 110.643 172.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -140.65 147.15 38.87 Favored 'General case' 0 N--CA 1.525 3.301 0 C-N-CA 126.576 1.95 . . . . 0.0 112.657 168.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 86' ' ' VAL . 71.1 m-85 -105.22 130.72 53.31 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 114.595 -2.621 . . . . 0.0 111.799 168.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -132.41 151.66 51.79 Favored 'General case' 0 N--CA 1.512 2.63 0 C-N-CA 127.246 2.218 . . . . 0.0 108.56 -169.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -153.94 130.17 10.44 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 166.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.304 12.6 t0 67.11 30.18 7.49 Favored 'General case' 0 C--N 1.375 1.679 0 O-C-N 118.515 -2.616 . . . . 0.0 111.565 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.36 -10.99 0.15 Allowed Glycine 0 C--O 1.185 -2.907 0 CA-C-O 116.882 -2.066 . . . . 0.0 114.626 -165.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -75.77 117.65 65.26 Favored Pre-proline 0 CA--C 1.481 -1.709 0 CA-C-N 122.517 3.158 . . . . 0.0 109.982 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -63.84 155.16 65.49 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 CA-C-N 123.958 2.449 . . . . 0.0 111.124 175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -92.57 134.8 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.301 0 CA-C-O 117.565 -1.207 . . . . 0.0 108.647 -173.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -94.62 156.99 16.17 Favored 'General case' 0 C--O 1.207 -1.142 0 C-N-CA 125.611 1.565 . . . . 0.0 114.544 169.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.95 -39.48 93.56 Favored 'General case' 0 CA--C 1.591 2.524 0 O-C-N 119.618 -1.926 . . . . 0.0 107.764 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 36.3 p -58.78 -11.08 2.81 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 127.094 2.158 . . . . 0.0 112.257 170.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -79.51 153.48 29.53 Favored 'General case' 0 CA--C 1.612 3.362 1 CA-C-N 126.141 4.064 . . . . 0.0 112.922 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' B' ' 73' ' ' PRO . 76.8 p -130.72 171.68 8.62 Favored Pre-proline 0 N--CA 1.515 2.792 0 O-C-N 125.276 1.61 . . . . 0.0 108.311 173.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' B' ' 72' ' ' THR . 16.5 Cg_exo -55.36 -33.43 85.36 Favored 'Trans proline' 0 N--CA 1.433 -2.047 1 C-N-CA 126.444 4.763 . . . . 0.0 112.719 166.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.8 -50.09 70.33 Favored 'General case' 0 C--N 1.396 2.605 0 O-C-N 121.64 -0.662 . . . . 0.0 111.736 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -62.17 -37.16 84.19 Favored 'General case' 0 CA--C 1.511 -0.52 0 O-C-N 120.044 -1.66 . . . . 0.0 112.76 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 65.4 mt -85.88 -14.54 44.58 Favored 'General case' 0 C--O 1.284 2.879 0 CA-C-O 112.984 -3.388 . . . . 0.0 111.639 -176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 52.42 51.74 15.58 Favored 'General case' 0 CA--C 1.591 2.525 0 O-C-N 126.865 2.603 . . . . 0.0 111.567 -168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.3 mtp -85.32 156.7 20.8 Favored 'General case' 0 N--CA 1.525 3.286 0 CA-C-N 112.376 -2.193 . . . . 0.0 110.084 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -136.61 176.26 8.86 Favored 'General case' 0 C--N 1.376 1.745 0 O-C-N 120.336 -1.478 . . . . 0.0 107.494 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.66 135.99 46.11 Favored 'General case' 0 CA--C 1.607 3.17 0 O-C-N 120.216 -1.552 . . . . 0.0 111.225 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.34 10.2 mt-10 73.54 4.53 4.79 Favored 'General case' 0 C--O 1.268 2.079 0 N-CA-C 119.982 3.327 . . . . 0.0 119.982 -169.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -74.44 141.85 44.98 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 124.786 2.231 . . . . 0.0 109.97 168.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 57.2 m -112.52 123.0 49.32 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.676 2.79 . . . . 0.0 113.181 -169.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.11 116.13 21.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 C-N-CA 126.828 2.051 . . . . 0.0 114.769 162.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -85.52 124.98 32.71 Favored 'General case' 0 N--CA 1.512 2.657 0 O-C-N 126.156 2.16 . . . . 0.0 111.78 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 60' ' ' PHE . 61.1 t -110.19 126.78 67.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 O-C-N 125.597 1.811 . . . . 0.0 113.625 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -115.28 149.99 36.93 Favored 'General case' 0 CA--C 1.472 -2.048 0 C-N-CA 129.086 2.954 . . . . 0.0 114.475 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.34 161.1 28.16 Favored 'General case' 0 C--O 1.267 1.989 0 C-N-CA 125.622 1.569 . . . . 0.0 111.56 163.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -129.85 148.28 51.71 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 127.793 2.437 . . . . 0.0 113.979 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.14 122.99 23.64 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 118.523 -2.61 . . . . 0.0 114.632 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.4 p -131.82 131.45 42.88 Favored 'General case' 0 CA--C 1.462 -2.418 0 O-C-N 119.372 -2.08 . . . . 0.0 106.136 -159.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.4 -162.86 9.88 Favored Glycine 0 CA--C 1.56 2.884 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.35 -164.9 36.17 Favored Glycine 0 C--N 1.376 2.752 0 O-C-N 119.517 -2.166 . . . . 0.0 109.691 -177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.56 133.53 29.28 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.567 0 O-C-N 125.961 1.624 . . . . 0.0 108.691 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.408 -2.548 0 C-N-CA 129.977 3.311 . . . . 0.0 103.973 -168.619 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.899 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.26 -19.95 24.82 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 116.453 -1.737 . . . . 0.0 112.25 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -73.19 17.41 0.13 Allowed 'General case' 0 C--N 1.318 -0.766 1 C-N-CA 132.169 4.187 . . . . 0.0 111.579 -178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.263 . . -87.77 32.9 0.72 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.645 1.112 . . . . 0.0 111.798 -178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -140.91 113.83 8.38 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 124.684 1.24 . . . . 0.0 110.999 -161.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -128.08 154.73 39.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-O 114.89 -2.481 . . . . 0.0 108.317 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' B' ' 33' ' ' LYS . 47.3 t -151.99 109.65 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.054 0 CA-C-N 121.026 1.739 . . . . 0.0 109.944 -167.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.6 mt -127.89 129.48 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.435 0 CA-C-O 125.561 2.6 . . . . 0.0 115.535 -162.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.364 24.6 t0 -105.25 -11.2 16.63 Favored 'General case' 0 N--CA 1.523 3.197 0 C-N-CA 124.673 1.189 . . . . 0.0 110.936 -167.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -146.88 126.79 13.57 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.62 -155.07 25.71 Favored Glycine 0 N--CA 1.508 3.452 1 O-C-N 116.251 -4.031 . . . . 0.0 113.087 -148.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.318 13.9 tp10 -83.19 156.8 23.01 Favored 'General case' 0 C--O 1.172 -2.982 1 CA-C-N 125.812 4.806 . . . . 0.0 110.858 171.37 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 1 O-C-N 114.848 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmt . . . . . 0 CA--C 1.488 -1.413 0 CA-C-O 126.366 2.984 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.0 165.97 19.01 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 111.4 -2.637 . . . . 0.0 112.159 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -84.11 134.39 34.59 Favored 'General case' 0 CA--C 1.461 -2.473 0 C-N-CA 124.29 1.036 . . . . 0.0 113.253 165.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -147.54 129.65 15.5 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 123.727 1.727 . . . . 0.0 109.126 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.306 44.2 tttm -125.51 115.75 25.12 Favored Pre-proline 0 N--CA 1.493 1.707 0 CA-C-N 111.565 -2.561 . . . . 0.0 116.638 162.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -62.24 155.63 55.57 Favored 'Trans proline' 0 CA--C 1.501 -1.148 0 O-C-N 125.141 2.127 . . . . 0.0 111.992 164.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -44.37 142.36 1.58 Allowed 'General case' 0 N--CA 1.523 3.217 0 O-C-N 118.861 -2.4 . . . . 0.0 111.765 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.6 127.3 31.36 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 125.561 2.601 . . . . 0.0 112.503 164.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.92 -28.58 8.18 Favored Glycine 0 N--CA 1.479 1.555 0 CA-C-O 115.022 -3.099 . . . . 0.0 113.478 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 t -140.81 126.61 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 122.733 3.267 . . . . 0.0 111.094 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.303 74.3 tttt -153.25 151.68 30.32 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 124.297 0.998 . . . . 0.0 109.727 166.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -42.12 -40.78 2.43 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 165.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.22 -8.82 56.89 Favored 'General case' 0 CA--C 1.612 3.341 0 O-C-N 119.11 -2.244 . . . . 0.0 115.972 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.33 1.49 11.44 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-N 120.806 1.639 . . . . 0.0 110.805 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -77.5 135.02 38.19 Favored 'General case' 0 N--CA 1.515 2.823 0 CA-C-N 112.96 -1.927 . . . . 0.0 114.4 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.281 33.4 m-20 -72.05 133.14 45.1 Favored 'General case' 0 CA--C 1.565 1.552 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -73.76 150.97 40.78 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-O 122.305 1.05 . . . . 0.0 113.554 161.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.419 HG23 HG13 ' B' ' 34' ' ' ILE . 9.5 tt -112.43 141.73 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 CA-C-N 114.359 -1.292 . . . . 0.0 111.088 160.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -105.89 125.19 50.7 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 125.285 1.615 . . . . 0.0 112.92 170.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.544 HD12 HD11 ' B' ' 34' ' ' ILE . 75.0 mt -126.46 154.34 43.84 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 129.146 2.978 . . . . 0.0 111.55 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -117.61 159.74 22.42 Favored 'General case' 0 N--CA 1.524 3.256 0 C-N-CA 126.572 1.949 . . . . 0.0 110.328 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.19 130.45 54.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 C-N-CA 126.074 1.75 . . . . 0.0 109.765 174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 134.54 55.3 Favored 'General case' 0 N--CA 1.518 2.954 0 C-N-CA 124.518 1.127 . . . . 0.0 113.004 -170.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 169.87 39.92 Favored Glycine 0 C--N 1.396 3.91 0 C-N-CA 127.185 2.326 . . . . 0.0 112.435 166.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -87.9 -6.01 58.28 Favored 'General case' 0 N--CA 1.499 1.991 0 C-N-CA 130.942 3.697 . . . . 0.0 112.781 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -75.3 -2.51 28.57 Favored 'General case' 0 C--O 1.202 -1.412 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 152.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.82 -15.98 39.47 Favored Glycine 0 CA--C 1.548 2.124 0 CA-C-O 118.928 -0.929 . . . . 0.0 112.659 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.3 p -62.28 155.74 24.06 Favored 'General case' 0 N--CA 1.5 2.062 0 CA-C-N 121.296 2.548 . . . . 0.0 115.045 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 t -148.68 144.11 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 O-C-N 116.998 -3.564 . . . . 0.0 112.963 -165.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 m -127.06 161.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.42 3.665 1 O-C-N 115.384 -4.572 . . . . 0.0 109.503 163.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -109.8 129.25 55.65 Favored 'General case' 0 CA--C 1.575 1.907 1 C-N-CA 136.515 5.926 . . . . 0.0 108.956 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.251 60.5 m-85 -109.99 134.17 52.41 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 125.243 1.417 . . . . 0.0 111.16 167.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 42' ' ' VAL . 75.3 tttt -104.77 114.72 29.11 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 127.757 2.423 . . . . 0.0 109.187 165.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.544 HD11 HD12 ' B' ' 20' ' ' LEU . 47.4 pt -147.05 154.23 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 C-N-CA 128.625 2.77 . . . . 0.0 116.672 -165.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -80.16 144.65 32.84 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-O 125.114 2.388 . . . . 0.0 107.889 173.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.309 45.2 ttp85 -61.97 -29.35 70.19 Favored 'General case' 0 N--CA 1.524 3.242 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.109 -166.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -100.03 -0.8 38.48 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 129.095 2.958 . . . . 0.0 116.583 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -54.85 137.17 65.0 Favored Pre-proline 0 C--O 1.269 2.091 0 CA-C-O 116.69 -1.624 . . . . 0.0 111.313 166.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.07 138.92 41.25 Favored 'Trans proline' 0 N--CA 1.51 2.48 0 C-N-CA 124.524 3.483 . . . . 0.0 112.472 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.1 mt -70.88 2.92 3.7 Favored 'General case' 0 C--O 1.172 -3.004 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 25.7 p -67.11 -46.06 75.31 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 127.646 2.378 . . . . 0.0 107.881 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -52.88 -43.31 66.04 Favored 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 127.681 2.392 . . . . 0.0 110.17 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.22 -46.91 54.18 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 126.431 3.015 . . . . 0.0 110.15 -177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.425 ' HG2' ' CG ' ' B' ' 60' ' ' PHE . 32.1 mtm -59.91 -35.51 75.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 125.451 2.548 . . . . 0.0 113.175 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.67 -48.94 19.89 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.164 -1.585 . . . . 0.0 109.606 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.8 -33.26 72.72 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-O 124.882 2.277 . . . . 0.0 112.904 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -68.22 -43.39 78.08 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 112.882 -1.963 . . . . 0.0 115.282 166.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -62.61 -50.85 69.61 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.021 0.828 . . . . 0.0 112.101 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -49.33 -55.14 13.83 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 127.668 2.387 . . . . 0.0 109.37 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -54.01 -45.93 71.66 Favored 'General case' 0 N--CA 1.507 2.4 0 CA-C-N 123.431 2.832 . . . . 0.0 116.369 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' ' HG ' ' B' ' 53' ' ' LEU . 1.8 mm-40 -75.94 -13.02 60.25 Favored 'General case' 0 CA--C 1.48 -1.732 0 O-C-N 126.98 2.675 . . . . 0.0 113.388 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.16 6.93 58.81 Favored Glycine 0 C--N 1.361 1.952 0 CA-C-O 117.576 -1.68 . . . . 0.0 110.836 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' B' ' 51' ' ' GLN . 90.7 mt -70.61 158.21 36.59 Favored 'General case' 0 CA--C 1.615 3.467 1 C-N-CA 133.263 4.625 . . . . 0.0 107.253 177.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -79.79 143.23 34.63 Favored 'General case' 0 C--N 1.276 -2.606 0 O-C-N 119.666 -1.896 . . . . 0.0 111.254 160.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 11.7 mtt -62.7 -23.23 67.04 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 116.683 -3.76 . . . . 0.0 110.067 168.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 56.2 ttt-85 -65.21 -16.89 64.01 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 114.527 -2.654 . . . . 0.0 110.618 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -89.27 -31.18 17.98 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.38 2.925 . . . . 0.0 112.513 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 45.3 pt -120.08 175.22 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 O-C-N 126.974 2.671 . . . . 0.0 113.816 -168.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -147.05 154.25 40.96 Favored 'General case' 0 N--CA 1.422 -1.842 0 C-N-CA 125.815 1.646 . . . . 0.0 107.172 164.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' B' ' 44' ' ' MET . 19.1 m-85 -111.91 150.57 30.29 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -150.67 126.53 10.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.243 -2.161 . . . . 0.0 113.381 -159.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -141.42 133.78 28.14 Favored 'General case' 0 N--CA 1.501 2.093 0 CA-C-O 124.956 2.313 . . . . 0.0 106.552 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.271 20.5 t0 68.28 28.63 6.27 Favored 'General case' 0 N--CA 1.518 2.944 0 CA-C-O 124.547 2.117 . . . . 0.0 111.941 178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.57 -8.33 3.21 Favored Glycine 0 C--O 1.262 1.891 0 N-CA-C 117.86 1.904 . . . . 0.0 117.86 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -98.86 142.16 24.14 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 118.785 1.293 . . . . 0.0 112.511 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -54.99 144.85 66.33 Favored 'Trans proline' 0 C--N 1.371 1.739 0 N-CA-C 106.921 -1.992 . . . . 0.0 106.921 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 34.5 mt -86.99 128.3 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.385 0 C-N-CA 128.018 2.527 . . . . 0.0 114.419 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -96.2 156.57 16.28 Favored 'General case' 0 N--CA 1.434 -1.265 0 C-N-CA 126.766 2.026 . . . . 0.0 113.685 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.81 -27.86 68.57 Favored 'General case' 0 CA--C 1.612 3.351 0 O-C-N 119.919 -1.738 . . . . 0.0 113.376 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . 0.363 24.2 p -77.09 -19.22 57.31 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 168.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -75.05 133.81 41.52 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 118.454 -2.654 . . . . 0.0 107.619 -176.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -114.84 160.96 31.49 Favored Pre-proline 0 N--CA 1.525 3.279 0 C-N-CA 126.554 1.942 . . . . 0.0 110.844 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -55.51 -46.16 34.26 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 CA-C-N 124.003 2.465 . . . . 0.0 112.381 172.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.92 -28.88 39.54 Favored 'General case' 0 CA--C 1.581 2.158 0 O-C-N 118.073 -2.892 . . . . 0.0 110.937 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -72.7 -35.73 67.69 Favored 'General case' 0 C--N 1.326 -0.427 1 O-C-N 115.59 -4.443 . . . . 0.0 112.682 165.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.315 21.5 mt -99.35 1.16 44.18 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-N 123.562 2.892 . . . . 0.0 111.0 -173.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.313 54.3 mm-40 62.77 23.54 14.03 Favored 'General case' 0 N--CA 1.509 2.492 1 O-C-N 115.117 -4.74 . . . . 0.0 116.614 179.562 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 89.8 mtp -72.57 155.52 39.96 Favored 'General case' 0 C--N 1.298 -1.632 0 C-N-CA 127.54 2.336 . . . . 0.0 108.051 -163.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.9 170.07 8.35 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 118.311 -2.743 . . . . 0.0 107.879 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.76 152.89 14.69 Favored 'General case' 0 C--O 1.282 2.787 0 C-N-CA 125.569 1.547 . . . . 0.0 112.803 164.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 59.57 2.21 0.33 Allowed 'General case' 0 C--O 1.204 -1.29 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -168.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -60.09 135.01 57.58 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 123.138 2.699 . . . . 0.0 112.846 169.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 53.8 m -113.68 111.14 21.33 Favored 'General case' 0 C--N 1.4 2.793 0 CA-C-O 116.304 -1.808 . . . . 0.0 108.546 -167.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -73.39 124.55 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 129.265 3.026 . . . . 0.0 109.234 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -77.49 162.03 27.47 Favored 'General case' 0 C--N 1.285 -2.228 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.839 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 34.0 t -140.78 134.29 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -132.28 163.14 29.29 Favored 'General case' 0 C--O 1.262 1.75 0 C-N-CA 126.523 1.929 . . . . 0.0 110.987 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -82.71 169.57 16.05 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 127.971 2.508 . . . . 0.0 116.389 167.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -133.52 147.58 51.62 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 129.723 3.209 . . . . 0.0 108.328 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.64 151.41 51.03 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.004 -2.31 . . . . 0.0 106.761 171.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 135.33 54.03 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 111.659 -2.519 . . . . 0.0 109.951 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 45.28 -132.04 8.66 Favored Glycine 0 CA--C 1.577 3.919 0 C-N-CA 126.819 2.152 . . . . 0.0 115.19 -163.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.43 -164.12 35.74 Favored Glycine 0 C--N 1.389 3.497 0 CA-C-O 127.098 3.61 . . . . 0.0 108.821 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 78.4 t -107.46 87.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 118.413 -2.816 . . . . 0.0 108.77 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 . . . . . 0 C--O 1.272 2.247 0 C-N-CA 126.694 1.998 . . . . 0.0 115.528 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.8 -26.38 25.8 Favored 'General case' 0 C--O 1.202 -1.441 0 O-C-N 119.094 -2.254 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH22 ' B' ' 50' ' ' ARG 0.428 3.2 t0 -69.78 0.43 5.69 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 121.553 3.908 . . . . 0.0 121.553 161.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.26 24.59 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -151.46 136.37 17.29 Favored 'General case' 0 N--CA 1.517 2.912 0 C-N-CA 126.12 1.768 . . . . 0.0 113.198 -156.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -147.91 129.3 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.819 0 CA-C-O 113.523 -3.132 . . . . 0.0 110.084 -174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 t -127.55 131.49 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.685 0 CA-C-N 123.527 2.876 . . . . 0.0 104.348 -165.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.309 82.2 mt -147.97 148.74 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 1 O-C-N 116.017 -4.177 . . . . 0.0 111.858 -161.827 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -154.53 61.61 0.68 Allowed 'General case' 0 C--O 1.192 -1.932 0 CA-C-O 125.099 2.38 . . . . 0.0 107.08 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -150.81 165.43 33.57 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 129.9 3.28 . . . . 0.0 112.948 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.49 151.02 23.97 Favored Glycine 0 C--N 1.294 -1.766 1 CA-C-O 127.824 4.013 . . . . 0.0 111.656 -158.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -76.65 147.66 37.38 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 118.253 -2.91 . . . . 0.0 106.165 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 0.983 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.6 mmt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.26 149.03 48.96 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 112.258 -2.247 . . . . 0.0 110.753 167.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -77.07 115.13 16.59 Favored 'General case' 0 CA--C 1.608 3.188 0 CA-C-O 126.044 2.831 . . . . 0.0 106.383 159.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -141.16 134.7 29.97 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 116.54 -3.85 . . . . 0.0 111.252 -166.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -155.66 104.33 2.16 Favored Pre-proline 0 C--N 1.281 -2.394 0 C-N-CA 129.376 3.07 . . . . 0.0 109.481 165.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -63.93 156.11 60.28 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 124.044 3.162 . . . . 0.0 116.701 -160.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -80.78 122.15 26.81 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 119.045 -2.284 . . . . 0.0 109.742 174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -84.89 153.68 22.73 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 119.457 -2.027 . . . . 0.0 109.104 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.36 9.99 6.85 Favored Glycine 0 N--CA 1.512 3.707 0 CA-C-O 117.135 -1.925 . . . . 0.0 116.313 -169.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 94.7 t -131.83 113.62 22.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.645 2.378 . . . . 0.0 114.452 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.423 ' HE3' ' CG ' ' B' ' 13' ' ' GLU . 24.6 tttp -156.99 137.05 12.64 Favored 'General case' 0 N--CA 1.517 2.906 1 C-N-CA 131.934 4.094 . . . . 0.0 113.229 177.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 p -67.79 -30.48 69.93 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.259 -2.15 . . . . 0.0 109.493 -166.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' CG ' ' HE3' ' B' ' 11' ' ' LYS . 17.9 mm-40 -72.19 -39.71 68.44 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.337 1.648 . . . . 0.0 110.225 -166.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -91.58 1.5 57.1 Favored 'General case' 0 CA--C 1.584 2.262 0 CA-C-O 125.362 2.506 . . . . 0.0 115.615 -170.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -65.22 151.61 45.73 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 129.489 3.115 . . . . 0.0 110.942 173.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -74.18 119.51 18.49 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.609 1.564 . . . . 0.0 113.243 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -60.1 162.35 5.88 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 120.149 1.341 . . . . 0.0 110.498 164.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.69 124.29 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 129.503 3.121 . . . . 0.0 106.944 159.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -99.0 123.5 43.34 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 128.961 2.904 . . . . 0.0 110.197 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.257 55.6 mt -127.74 138.18 52.68 Favored 'General case' 0 CA--C 1.597 2.754 0 C-N-CA 128.914 2.886 . . . . 0.0 106.581 -172.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -99.86 163.18 12.57 Favored 'General case' 0 CA--C 1.484 -1.594 0 O-C-N 119.829 -1.795 . . . . 0.0 114.176 166.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -144.81 126.93 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 O-C-N 116.421 -3.924 . . . . 0.0 106.685 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.93 121.77 16.55 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 124.803 1.241 . . . . 0.0 113.261 -151.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.28 169.26 47.52 Favored Glycine 0 CA--C 1.531 1.077 1 N-CA-C 102.28 -4.328 . . . . 0.0 102.28 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -84.89 -7.1 59.3 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.52 -13.7 61.88 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 118.903 -2.373 . . . . 0.0 117.212 162.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.86 20.27 78.66 Favored Glycine 0 N--CA 1.514 3.867 0 N-CA-C 119.409 2.524 . . . . 0.0 119.409 -159.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 128.67 34.69 Favored 'General case' 0 N--CA 1.528 3.425 0 CA-C-O 123.446 1.594 . . . . 0.0 112.277 160.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -148.03 132.0 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 119.746 -1.846 . . . . 0.0 109.286 -155.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.49 164.49 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.301 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -130.02 136.36 49.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 123.356 1.55 . . . . 0.0 109.932 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -120.65 121.72 38.92 Favored 'General case' 0 C--O 1.186 -2.25 0 C-N-CA 127.956 2.503 . . . . 0.0 112.81 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -110.72 114.92 28.67 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.86 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 pt -146.61 165.84 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 O-C-N 124.191 0.932 . . . . 0.0 112.573 -162.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -79.44 142.32 36.01 Favored 'General case' 0 C--N 1.382 1.991 0 CA-C-N 119.231 0.923 . . . . 0.0 109.717 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttp85 -59.02 -25.97 64.14 Favored 'General case' 0 C--N 1.366 1.316 0 CA-C-O 112.246 -3.74 . . . . 0.0 114.546 -167.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -89.28 7.58 34.82 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 128.831 3.832 . . . . 0.0 117.267 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 120.96 61.07 Favored Pre-proline 0 CA--C 1.572 1.824 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 171.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' B' ' 72' ' ' THR . 95.6 Cg_endo -69.26 145.79 61.19 Favored 'Trans proline' 0 N--CA 1.418 -2.951 0 CA-C-N 121.126 1.438 . . . . 0.0 111.518 -171.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . 0.286 91.2 mt -71.25 -14.26 62.17 Favored 'General case' 0 N--CA 1.532 3.658 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.056 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.5 p -54.31 -40.92 68.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.452 1.901 . . . . 0.0 112.71 167.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.85 -29.91 69.16 Favored 'General case' 0 CA--C 1.588 2.405 0 C-N-CA 117.283 -1.767 . . . . 0.0 113.51 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.17 -47.95 13.91 Favored 'General case' 0 N--CA 1.411 -2.398 0 CA-C-O 117.519 -1.229 . . . . 0.0 108.199 -172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -51.94 46.35 Favored 'General case' 0 N--CA 1.528 3.45 0 CA-C-N 121.977 2.171 . . . . 0.0 111.69 172.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -48.09 -62.54 1.42 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 119.08 -2.263 . . . . 0.0 113.07 172.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.22 -38.59 65.86 Favored 'General case' 0 CA--C 1.464 -2.349 0 O-C-N 119.493 -2.005 . . . . 0.0 113.306 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -71.52 -52.08 20.16 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -59.47 -31.42 69.31 Favored 'General case' 0 C--O 1.188 -2.155 0 O-C-N 118.487 -2.633 . . . . 0.0 117.216 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -66.7 -38.51 86.88 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 168.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.413 HH22 ' CG ' ' A' ' 38' ' ' ASP . 17.7 mtt-85 -70.71 -37.27 73.52 Favored 'General case' 0 CA--C 1.58 2.107 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.567 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -65.74 -37.84 87.5 Favored 'General case' 0 C--N 1.288 -2.075 0 CA-C-O 116.958 -1.496 . . . . 0.0 110.945 166.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.02 25.26 52.95 Favored Glycine 0 CA--C 1.466 -3.022 0 CA-C-O 122.86 1.256 . . . . 0.0 115.583 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 70.0 mt -108.1 -178.17 3.53 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 128.081 2.552 . . . . 0.0 113.576 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -104.45 143.98 32.28 Favored 'General case' 0 C--N 1.369 1.419 0 O-C-N 119.36 -2.087 . . . . 0.0 113.525 163.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.9 mtp -57.12 -9.93 1.05 Allowed 'General case' 0 CA--C 1.587 2.372 0 CA-C-O 115.078 -2.391 . . . . 0.0 113.371 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -73.59 -39.17 64.81 Favored 'General case' 0 C--N 1.411 3.272 0 C-N-CA 126.598 1.959 . . . . 0.0 115.258 162.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -71.42 -12.8 61.6 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 121.146 1.794 . . . . 0.0 114.574 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -142.39 159.35 19.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 1 O-C-N 116.226 -4.047 . . . . 0.0 110.81 -174.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -143.71 142.43 30.96 Favored 'General case' 0 C--O 1.186 -2.246 0 O-C-N 119.706 -1.871 . . . . 0.0 109.807 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 86' ' ' VAL . 67.4 m-85 -106.09 129.39 54.19 Favored 'General case' 0 C--O 1.257 1.488 1 C-N-CA 132.392 4.277 . . . . 0.0 108.066 -172.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.258 29.0 ttm180 -131.82 149.98 52.29 Favored 'General case' 0 CA--C 1.611 3.307 0 C-N-CA 125.263 1.425 . . . . 0.0 110.048 -173.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.464 ' CZ ' ' HG2' ' B' ' 78' ' ' MET . 64.8 t80 -150.71 139.89 21.2 Favored 'General case' 0 CA--C 1.461 -2.452 0 C-N-CA 130.481 3.512 . . . . 0.0 112.727 173.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 19.8 t0 55.1 21.3 3.79 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 128.26 2.624 . . . . 0.0 111.48 178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.12 11.78 84.74 Favored Glycine 0 C--N 1.378 2.876 0 CA-C-O 117.443 -1.754 . . . . 0.0 117.06 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.1 148.73 40.08 Favored Pre-proline 0 N--CA 1.513 2.722 0 C-N-CA 128.961 2.904 . . . . 0.0 113.408 170.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.18 131.49 26.95 Favored 'Trans proline' 0 CA--C 1.564 2.019 1 C-N-CA 126.425 4.75 . . . . 0.0 110.159 169.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -81.77 134.5 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.367 171.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -99.75 161.54 13.55 Favored 'General case' 0 C--O 1.21 -0.994 0 O-C-N 119.132 -2.23 . . . . 0.0 107.852 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -71.49 -16.83 62.37 Favored 'General case' 0 CA--C 1.615 3.473 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.6 p -90.05 -9.3 49.02 Favored 'General case' 0 C--N 1.408 3.131 0 O-C-N 118.065 -2.897 . . . . 0.0 114.023 170.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -70.81 144.46 50.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 125.899 1.999 . . . . 0.0 110.343 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.503 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 43.8 p -117.7 170.65 5.92 Favored Pre-proline 0 C--N 1.374 1.666 0 N-CA-C 102.368 -3.197 . . . . 0.0 102.368 167.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -58.15 -34.54 98.62 Favored 'Trans proline' 0 C--O 1.252 1.182 0 O-C-N 116.477 -2.433 . . . . 0.0 113.769 162.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.47 79.59 Favored 'General case' 0 N--CA 1.531 3.601 0 CA-C-O 123.988 1.851 . . . . 0.0 113.959 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.503 ' HB3' ' H ' ' B' ' 72' ' ' THR . 71.5 tp60 -56.52 -56.89 15.66 Favored 'General case' 0 CA--C 1.588 2.436 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.792 167.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.45 -0.01 18.62 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 50.38 33.09 7.09 Favored 'General case' 0 C--O 1.274 2.381 0 CA-C-N 121.198 1.817 . . . . 0.0 115.186 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.464 ' HG2' ' CZ ' ' B' ' 62' ' ' PHE . 46.8 mtp -55.92 141.89 37.61 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -87.02 157.97 19.33 Favored 'General case' 0 C--O 1.173 -2.939 0 CA-C-O 125.434 2.54 . . . . 0.0 114.736 164.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.26 147.39 7.83 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 118.984 -2.322 . . . . 0.0 110.129 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.03 20.2 12.02 Favored 'General case' 1 N--CA 1.549 4.51 0 C-N-CA 127.599 2.36 . . . . 0.0 111.907 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . 0.298 89.2 m-20 -69.5 149.72 47.95 Favored 'General case' 0 CA--C 1.601 2.909 0 O-C-N 125.345 1.653 . . . . 0.0 111.196 165.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 90.6 m -125.37 130.97 52.99 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 125.184 2.421 . . . . 0.0 111.97 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 34.4 mt -91.9 113.36 27.13 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 130.77 3.628 . . . . 0.0 111.853 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.03 153.16 32.58 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 119.234 -2.166 . . . . 0.0 109.917 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 60' ' ' PHE . 24.9 t -129.97 137.09 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.544 0 CA-C-O 117.221 -1.371 . . . . 0.0 112.839 175.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -132.94 135.41 45.51 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 126.546 2.404 . . . . 0.0 115.746 -167.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -73.31 158.04 35.86 Favored 'General case' 0 CA--C 1.574 1.87 0 CA-C-N 118.799 0.727 . . . . 0.0 110.672 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -95.68 158.37 15.48 Favored 'General case' 0 C--O 1.261 1.677 0 O-C-N 120.255 -1.528 . . . . 0.0 109.013 167.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . 0.29 10.3 mp0 -147.51 143.17 27.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 128.443 2.697 . . . . 0.0 114.197 166.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -148.1 147.72 29.84 Favored 'General case' 0 C--O 1.253 1.268 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.482 168.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.09 139.73 10.86 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 127.458 2.456 . . . . 0.0 110.307 -172.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.13 -177.13 31.93 Favored Glycine 0 N--CA 1.418 -2.516 0 C-N-CA 127.583 2.516 . . . . 0.0 111.542 148.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.37 139.29 17.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 O-C-N 118.783 -2.599 . . . . 0.0 111.11 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 126.045 1.738 . . . . 0.0 112.614 172.389 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -53.91 -34.6 60.04 Favored 'General case' 0 C--N 1.295 -1.804 1 O-C-N 116.279 -4.013 . . . . 0.0 111.746 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -81.22 -7.6 59.6 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.93 35.78 0.21 Allowed 'General case' 0 N--CA 1.515 2.794 0 CA-C-O 123.234 1.492 . . . . 0.0 112.944 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -156.94 105.86 2.2 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 130.859 3.664 . . . . 0.0 109.234 -158.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.3 mp -112.14 136.61 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.284 0 O-C-N 126.972 2.67 . . . . 0.0 104.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.75 117.46 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 116.975 -3.578 . . . . 0.0 108.924 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.2 mt -144.06 143.78 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.323 0 C-N-CA 128.478 2.711 . . . . 0.0 106.997 -165.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -143.5 30.34 1.37 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 117.956 2.576 . . . . 0.0 117.956 -165.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -125.57 126.87 45.48 Favored 'General case' 0 N--CA 1.413 -2.303 0 C-N-CA 129.585 3.154 . . . . 0.0 107.988 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.64 168.72 39.35 Favored Glycine 0 N--CA 1.504 3.178 0 CA-C-O 122.505 1.058 . . . . 0.0 112.435 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.344 6.1 tp10 -127.85 173.49 9.93 Favored 'General case' 0 C--N 1.281 -2.373 0 C-N-CA 126.684 1.994 . . . . 0.0 108.601 142.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.59 0 CA-C-N 114.413 -1.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.175 -2.856 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.1 156.32 25.3 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 119.116 -2.24 . . . . 0.0 112.072 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -54.26 33.26 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 131.063 3.745 . . . . 0.0 116.292 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.01 139.63 36.89 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 130.358 3.463 . . . . 0.0 108.856 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -148.18 145.95 22.03 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 120.096 3.369 . . . . 0.0 120.096 174.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.95 136.74 20.91 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 CA-C-O 114.372 -2.428 . . . . 0.0 111.231 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -105.47 138.78 41.1 Favored 'General case' 0 C--N 1.279 -2.498 1 C-N-CA 135.258 5.423 . . . . 0.0 114.917 173.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.95 159.2 42.71 Favored 'General case' 0 N--CA 1.513 2.725 0 CA-C-O 116.835 -1.555 . . . . 0.0 114.693 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.11 2.28 2.25 Favored Glycine 0 CA--C 1.492 -1.39 0 N-CA-C 120.108 2.803 . . . . 0.0 120.108 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 t -71.81 48.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.263 1.794 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 172.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -145.16 150.08 36.12 Favored 'General case' 0 C--N 1.403 2.935 0 C-N-CA 117.953 -1.499 . . . . 0.0 110.011 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 p -53.3 -51.01 63.69 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 125.268 2.461 . . . . 0.0 112.689 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.21 6.34 1.73 Allowed 'General case' 0 C--O 1.245 0.861 0 CA-C-N 113.216 -1.811 . . . . 0.0 114.61 -175.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -138.44 22.16 2.74 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 128.559 2.743 . . . . 0.0 112.88 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.87 153.11 21.31 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 117.113 -3.492 . . . . 0.0 110.206 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -71.95 127.69 33.36 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 111.253 -2.703 . . . . 0.0 110.422 -169.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.562 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 42.8 m80 -77.21 161.03 28.49 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 126.647 1.979 . . . . 0.0 116.29 152.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.9 tt -98.23 148.47 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 O-C-N 128.87 3.856 . . . . 0.0 110.572 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -121.66 95.56 4.72 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 125.817 2.722 . . . . 0.0 106.001 -170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 30.6 mt -109.65 161.63 15.2 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 111.141 -2.754 . . . . 0.0 113.381 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -124.54 162.43 24.04 Favored 'General case' 0 CA--C 1.476 -1.873 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 170.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.79 98.11 3.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.263 0 O-C-N 117.412 -3.305 . . . . 0.0 110.936 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.64 159.66 21.86 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 -176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.66 177.22 21.91 Favored Glycine 0 C--O 1.188 -2.727 0 C-N-CA 119.843 -1.17 . . . . 0.0 115.125 -163.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -78.17 -13.3 59.91 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-N 114.173 -1.014 . . . . 0.0 110.861 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -79.0 -8.11 58.65 Favored 'General case' 0 CA--C 1.566 1.574 0 C-N-CA 126.968 2.107 . . . . 0.0 114.928 169.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 11.85 79.94 Favored Glycine 0 N--CA 1.503 3.115 0 CA-C-N 113.897 -1.502 . . . . 0.0 114.338 -174.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.9 p -70.2 154.59 41.73 Favored 'General case' 0 N--CA 1.423 -1.811 0 O-C-N 118.653 -2.674 . . . . 0.0 111.144 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.27 139.1 33.19 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.945 0 C-N-CA 126.887 2.075 . . . . 0.0 115.367 168.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.49 149.92 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-O 117.096 -1.431 . . . . 0.0 110.247 162.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.259 24.1 tt0 -101.09 150.82 22.53 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-O 127.479 3.514 . . . . 0.0 115.176 167.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -119.86 161.18 21.27 Favored 'General case' 0 C--O 1.241 0.653 2 O-C-N 113.797 -5.564 . . . . 0.0 110.697 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.562 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 57.6 tttt -152.94 112.55 3.89 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 110.962 -2.835 . . . . 0.0 110.985 172.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.1 pt -144.24 159.94 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.349 -163.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -59.77 135.08 57.58 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 119.465 -2.022 . . . . 0.0 106.269 163.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -61.26 -18.09 56.7 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 114.086 -2.864 . . . . 0.0 112.75 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -108.11 4.94 25.49 Favored 'General case' 0 C--O 1.191 -2.016 0 CA-C-N 122.701 2.501 . . . . 0.0 116.781 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -54.74 130.74 65.29 Favored Pre-proline 0 N--CA 1.511 2.599 0 C-N-CA 125.389 1.476 . . . . 0.0 113.699 163.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -66.73 144.91 73.58 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 CA-C-O 126.095 2.456 . . . . 0.0 114.269 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 40' ' ' LEU 0.252 98.1 mt -64.45 -24.3 67.58 Favored 'General case' 0 CA--C 1.462 -2.41 0 CA-C-N 111.358 -2.655 . . . . 0.0 109.465 -179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 35.3 p -36.76 -53.94 0.91 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 117.296 -3.378 . . . . 0.0 118.123 164.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -60.09 -36.85 78.31 Favored 'General case' 0 N--CA 1.418 -2.03 0 C-N-CA 126.506 1.923 . . . . 0.0 109.429 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -45.66 45.69 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 120.354 1.434 . . . . 0.0 113.18 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 72.9 mtm -55.16 -47.5 75.05 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 119.834 -1.791 . . . . 0.0 112.413 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -66.25 -39.66 89.63 Favored 'General case' 0 CA--C 1.567 1.627 0 O-C-N 119.452 -2.03 . . . . 0.0 114.34 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.31 93.18 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 119.469 -2.02 . . . . 0.0 114.377 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -64.97 -47.88 76.03 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.393 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -64.74 -33.07 75.09 Favored 'General case' 0 N--CA 1.435 -1.185 0 C-N-CA 126.999 2.12 . . . . 0.0 113.081 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.34 -40.02 52.38 Favored 'General case' 0 N--CA 1.52 3.026 0 CA-C-O 116.352 -1.785 . . . . 0.0 112.426 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.3 -27.45 69.04 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 119.926 1.239 . . . . 0.0 112.231 171.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -84.26 -29.79 26.19 Favored 'General case' 0 CA--C 1.565 1.542 0 C-N-CA 125.078 1.351 . . . . 0.0 110.979 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.09 51.39 8.93 Favored Glycine 0 C--N 1.36 1.874 0 C-N-CA 129.8 3.571 . . . . 0.0 110.313 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.06 -164.13 1.38 Allowed 'General case' 0 C--O 1.274 2.356 0 C-N-CA 124.908 1.283 . . . . 0.0 108.814 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.6 t -126.45 141.11 52.0 Favored 'General case' 0 N--CA 1.526 3.348 0 O-C-N 119.253 -2.155 . . . . 0.0 111.856 165.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 86.5 mtp -58.98 -19.88 47.45 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-O 117.382 -1.294 . . . . 0.0 113.513 173.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -59.77 -39.14 83.87 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 126.342 1.857 . . . . 0.0 114.34 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.307 49.7 tt0 -83.96 -39.67 19.45 Favored 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 171.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 pt -92.99 167.46 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.196 -1.739 0 CA-C-O 125.908 2.766 . . . . 0.0 110.524 -172.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -137.14 149.63 47.42 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.555 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -137.81 136.86 37.61 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 118.127 -2.858 . . . . 0.0 107.807 -170.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -134.43 161.19 35.71 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 119.026 -2.296 . . . . 0.0 116.069 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -155.47 136.22 13.52 Favored 'General case' 0 C--O 1.187 -2.201 0 C-N-CA 130.202 3.401 . . . . 0.0 112.701 163.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 t0 48.68 39.49 13.73 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.206 -0.907 . . . . 0.0 113.415 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 -0.95 86.5 Favored Glycine 0 CA--C 1.563 3.082 0 CA-C-O 117.411 -1.772 . . . . 0.0 112.761 172.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -100.83 148.55 35.2 Favored Pre-proline 0 N--CA 1.422 -1.86 0 C-N-CA 129.701 3.2 . . . . 0.0 117.292 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -63.11 132.83 38.19 Favored 'Trans proline' 1 N--CA 1.539 4.178 0 C-N-CA 124.228 3.285 . . . . 0.0 115.995 165.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.03 135.51 24.98 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.017 0 CA-C-N 121.704 2.047 . . . . 0.0 115.576 170.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -103.65 147.88 26.69 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 127.243 2.217 . . . . 0.0 110.305 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.295 38.1 mt-10 -51.46 -36.66 45.21 Favored 'General case' 0 CA--C 1.586 2.337 0 C-N-CA 126.955 2.102 . . . . 0.0 112.836 167.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 7.0 p -84.86 -8.47 58.77 Favored 'General case' 0 CA--C 1.567 1.617 0 O-C-N 125.945 2.028 . . . . 0.0 113.771 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.13 154.17 42.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 121.474 1.943 . . . . 0.0 109.333 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -133.15 159.66 71.75 Favored Pre-proline 0 C--O 1.289 3.184 0 CA-C-N 112.847 -1.979 . . . . 0.0 111.27 167.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . 0.259 4.7 Cg_exo -61.49 -19.24 63.76 Favored 'Trans proline' 1 C--N 1.414 4.002 0 O-C-N 125.326 2.224 . . . . 0.0 108.899 178.418 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.86 -30.54 22.84 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.329 1.877 . . . . 0.0 112.894 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -67.36 -33.04 74.41 Favored 'General case' 0 C--O 1.276 2.464 0 CA-C-N 124.568 3.349 . . . . 0.0 111.264 174.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.87 -2.18 58.38 Favored 'General case' 0 C--O 1.195 -1.811 0 O-C-N 125.867 1.979 . . . . 0.0 115.851 170.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 52.73 36.83 22.16 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 128.204 2.602 . . . . 0.0 107.749 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 35.7 mtp -53.41 155.01 3.07 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 128.075 2.55 . . . . 0.0 115.495 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . 0.395 66.4 mm-40 -113.27 164.26 13.78 Favored 'General case' 0 N--CA 1.517 2.895 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.83 143.43 54.58 Favored 'General case' 0 CA--C 1.596 2.741 0 CA-C-O 116.196 -1.859 . . . . 0.0 114.609 168.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.315 22.5 mm-40 70.81 15.28 6.9 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-O 122.705 1.241 . . . . 0.0 114.077 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -82.37 154.67 25.12 Favored 'General case' 0 C--O 1.202 -1.422 0 O-C-N 117.35 -3.343 . . . . 0.0 111.817 158.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.6 m -130.87 129.27 42.08 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-N 110.534 -3.03 . . . . 0.0 111.95 -170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.38 138.95 18.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.49 0 C-N-CA 125.156 1.382 . . . . 0.0 113.39 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -96.43 147.46 23.8 Favored 'General case' 0 C--O 1.271 2.232 0 C-N-CA 126.991 2.117 . . . . 0.0 109.797 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.84 136.9 58.14 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 C-N-CA 128.871 2.868 . . . . 0.0 113.657 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -145.93 162.41 37.85 Favored 'General case' 0 CA--C 1.499 -0.984 0 C-N-CA 129.703 3.201 . . . . 0.0 111.857 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.55 158.67 18.92 Favored 'General case' 0 C--O 1.275 2.431 0 O-C-N 118.455 -2.653 . . . . 0.0 117.103 165.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -123.93 151.71 43.27 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 116.941 -1.504 . . . . 0.0 113.346 157.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -98.32 168.7 10.06 Favored 'General case' 0 C--O 1.18 -2.59 0 CA-C-N 121.947 2.158 . . . . 0.0 114.035 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -97.1 -20.37 18.05 Favored 'General case' 1 C--O 1.151 -4.084 0 O-C-N 118.333 -2.729 . . . . 0.0 114.27 162.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.27 177.83 22.64 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 117.038 1.575 . . . . 0.0 117.038 157.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.17 -121.77 1.93 Allowed Glycine 0 C--O 1.211 -1.341 0 CA-C-N 119.825 1.812 . . . . 0.0 110.655 -165.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 95.7 t -75.53 140.12 17.9 Favored 'Isoleucine or valine' 0 C--O 1.277 2.536 0 CA-C-N 120.49 2.145 . . . . 0.0 113.04 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 C--N 1.392 2.431 0 O-C-N 124.868 1.355 . . . . 0.0 110.707 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.22 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . 0.327 12.5 tp10 -49.73 -34.8 19.97 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 125.562 1.788 . . . . 0.0 115.795 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.269 30.3 t70 -110.5 15.48 22.1 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 128.254 2.622 . . . . 0.0 110.285 -174.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.62 20.83 1.33 Allowed 'General case' 0 CA--C 1.474 -1.956 1 O-C-N 115.179 -4.7 . . . . 0.0 110.926 177.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -143.3 102.46 3.97 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 119.491 -2.005 . . . . 0.0 107.627 -151.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.23 128.8 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 127.244 2.218 . . . . 0.0 113.648 -176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.281 18.7 t -130.74 103.22 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 121.325 1.875 . . . . 0.0 112.608 -156.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.1 mt -138.62 136.17 43.55 Favored 'Isoleucine or valine' 0 C--O 1.258 1.52 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.13 -156.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . 0.486 ' O ' ' HE3' ' B' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -122.78 -38.83 2.58 Favored 'General case' 0 C--N 1.401 2.822 1 O-C-N 115.978 -4.201 . . . . 0.0 112.684 -170.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -128.61 133.26 48.26 Favored 'General case' 0 CA--C 1.589 2.462 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.98 -162.4 30.06 Favored Glycine 0 C--N 1.359 1.814 0 O-C-N 126.615 2.447 . . . . 0.0 107.83 168.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -153.59 120.0 5.52 Favored 'General case' 0 C--O 1.256 1.442 1 CA-C-N 108.094 -4.053 . . . . 0.0 113.723 -168.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.604 0 CA-C-N 115.688 -0.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mmm . . . . . 0 N--CA 1.5 2.045 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.12 166.25 9.9 Favored 'General case' 0 N--CA 1.493 1.701 1 CA-C-O 129.092 4.282 . . . . 0.0 112.551 171.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -78.21 116.08 18.4 Favored 'General case' 0 CA--C 1.578 2.04 0 O-C-N 118.165 -2.834 . . . . 0.0 112.143 163.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -145.32 159.09 43.57 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 124.868 2.27 . . . . 0.0 111.159 -174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.6 tttt -141.26 144.89 36.12 Favored Pre-proline 0 C--O 1.209 -1.076 1 C-N-CA 134.506 5.122 . . . . 0.0 111.738 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -56.44 137.01 78.78 Favored 'Trans proline' 0 C--O 1.278 2.478 0 C-N-CA 122.633 2.222 . . . . 0.0 111.84 162.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -85.42 114.94 22.84 Favored 'General case' 0 CA--C 1.458 -2.581 0 C-N-CA 130.033 3.333 . . . . 0.0 110.957 -174.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -161.91 136.33 6.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 118.683 -2.51 . . . . 0.0 113.495 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.8 28.09 2.87 Favored Glycine 0 CA--C 1.563 3.056 0 N-CA-C 120.2 2.84 . . . . 0.0 120.2 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -78.76 61.67 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.194 -1.855 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -153.3 145.98 24.26 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 114.786 -2.531 . . . . 0.0 111.513 -171.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.2 p -55.59 -31.28 62.09 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 127.719 2.408 . . . . 0.0 115.152 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.16 -15.14 62.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 128.411 2.685 . . . . 0.0 110.116 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -105.05 -10.04 17.44 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.348 -2.095 . . . . 0.0 113.374 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -66.87 153.99 42.06 Favored 'General case' 0 C--N 1.384 2.084 0 O-C-N 117.523 -3.236 . . . . 0.0 113.618 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.2 136.24 56.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -171.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -67.74 169.34 9.73 Favored 'General case' 0 CA--C 1.611 3.327 0 O-C-N 126.503 2.377 . . . . 0.0 107.913 156.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 tt -107.73 127.95 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.433 0 CA-C-N 113.528 -1.669 . . . . 0.0 112.564 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -92.6 86.96 5.75 Favored 'General case' 0 C--O 1.2 -1.521 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 -169.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 mt -99.18 152.97 19.29 Favored 'General case' 0 CA--C 1.581 2.171 0 C-N-CA 123.734 0.814 . . . . 0.0 111.49 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -122.45 167.96 12.69 Favored 'General case' 0 C--O 1.284 2.905 0 CA-C-O 125.938 2.78 . . . . 0.0 108.156 163.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.3 t -132.93 130.69 58.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.149 0 O-C-N 119.665 -1.897 . . . . 0.0 107.05 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.88 142.55 46.61 Favored 'General case' 0 C--O 1.263 1.767 0 CA-C-O 123.429 1.585 . . . . 0.0 112.374 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.87 171.23 46.58 Favored Glycine 0 CA--C 1.55 2.219 0 N-CA-C 117.306 1.682 . . . . 0.0 117.306 166.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -75.08 -12.69 60.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.778 -1.425 . . . . 0.0 110.516 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.99 -16.59 58.0 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 126.5 1.92 . . . . 0.0 109.697 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.15 3.84 58.77 Favored Glycine 0 C--O 1.198 -2.138 0 C-N-CA 128.297 2.856 . . . . 0.0 115.287 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 88.6 p -67.4 150.68 48.62 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.808 -1.091 . . . . 0.0 112.735 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 t -145.79 134.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 O-C-N 123.717 0.635 . . . . 0.0 111.561 -171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.32 146.71 23.1 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 128.943 2.897 . . . . 0.0 113.047 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -94.16 133.68 37.41 Favored 'General case' 0 N--CA 1.515 2.805 0 O-C-N 125.788 1.93 . . . . 0.0 114.84 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -120.62 119.02 31.67 Favored 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -173.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -102.92 114.33 28.52 Favored 'General case' 1 N--CA 1.556 4.869 0 N-CA-C 105.007 -2.22 . . . . 0.0 105.007 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.419 HG21 HD21 ' B' ' 43' ' ' LEU . 6.6 pt -140.47 172.82 11.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 O-C-N 126.376 2.298 . . . . 0.0 111.598 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -106.55 169.92 8.24 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.158 -1.589 . . . . 0.0 109.409 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -68.3 -27.06 65.97 Favored 'General case' 0 CA--C 1.585 2.307 0 O-C-N 118.315 -2.741 . . . . 0.0 112.897 -166.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -93.11 -4.87 51.51 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 129.106 2.962 . . . . 0.0 113.146 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . 0.288 89.1 m -60.02 116.98 19.54 Favored Pre-proline 0 C--N 1.364 1.234 0 O-C-N 120.717 -1.239 . . . . 0.0 111.913 -173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -63.08 122.53 10.8 Favored 'Trans proline' 0 C--O 1.271 2.173 0 O-C-N 118.791 -1.215 . . . . 0.0 111.226 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.92 -16.99 48.37 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 73.6 p -59.89 -32.97 71.23 Favored 'General case' 0 CA--C 1.58 2.127 0 O-C-N 120.47 -1.394 . . . . 0.0 114.007 172.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 44' ' ' SEP . 41.2 mttm -61.48 -28.7 69.48 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-O 114.642 -2.599 . . . . 0.0 113.575 172.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.419 HD21 HG21 ' B' ' 34' ' ' ILE . 6.5 mp -78.75 -47.02 17.62 Favored 'General case' 0 C--O 1.275 2.412 0 O-C-N 127.786 3.178 . . . . 0.0 113.409 170.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 76.4 mtm -60.58 -50.79 72.14 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 126.207 2.908 . . . . 0.0 116.252 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -60.96 -20.94 62.96 Favored 'General case' 0 CA--C 1.584 2.276 0 O-C-N 116.448 -3.908 . . . . 0.0 111.906 170.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.61 -36.01 22.31 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 120.469 1.486 . . . . 0.0 111.327 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . 0.276 24.2 t80 -61.84 -40.52 95.61 Favored 'General case' 0 CA--C 1.582 2.196 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -40.51 -59.28 1.38 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 125.379 2.514 . . . . 0.0 114.778 170.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -60.55 -38.07 83.3 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 119.586 -1.946 . . . . 0.0 112.674 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -72.3 -31.11 65.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 125.777 1.923 . . . . 0.0 113.196 174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -73.18 -47.04 47.02 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 122.017 2.189 . . . . 0.0 114.104 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.43 9.13 87.02 Favored Glycine 0 N--CA 1.49 2.279 0 CA-C-O 117.793 -1.559 . . . . 0.0 109.33 -162.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.76 158.89 15.22 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 127.66 2.384 . . . . 0.0 117.201 163.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -86.14 133.57 33.86 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 126.214 1.806 . . . . 0.0 114.662 -172.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 43.7 mtp -57.33 -26.02 60.28 Favored 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 123.778 2.99 . . . . 0.0 111.942 167.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -68.19 -16.15 63.87 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 126.926 3.25 . . . . 0.0 113.08 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -110.84 -48.84 3.09 Favored 'General case' 0 CA--C 1.484 -1.569 1 C-N-CA 133.341 4.657 . . . . 0.0 109.974 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.462 HD13 HG21 ' B' ' 58' ' ' ILE 0.37 9.0 pt -79.17 153.74 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.52 0 O-C-N 116.919 -3.613 . . . . 0.0 111.36 177.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -137.49 128.32 27.18 Favored 'General case' 0 N--CA 1.518 2.954 0 CA-C-O 113.325 -3.226 . . . . 0.0 110.372 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -105.39 131.23 53.08 Favored 'General case' 0 C--N 1.275 -2.655 0 O-C-N 127.221 2.825 . . . . 0.0 113.52 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtt85 -126.06 171.94 10.4 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -158.46 144.62 17.08 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 117.94 -2.975 . . . . 0.0 110.49 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . 0.277 4.4 t0 54.9 24.09 5.54 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 117.279 -3.388 . . . . 0.0 117.169 -175.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.49 -23.23 7.58 Favored Glycine 1 CA--C 1.592 4.854 0 C-N-CA 127.822 2.629 . . . . 0.0 115.068 -167.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -83.08 135.81 44.44 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -59.09 143.15 99.9 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 124.349 3.366 . . . . 0.0 109.126 165.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -100.53 138.16 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.061 0 CA-C-O 115.045 -2.407 . . . . 0.0 114.892 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -92.15 165.45 13.14 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 122.213 2.279 . . . . 0.0 108.344 -177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.96 -30.56 70.72 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 127.894 2.478 . . . . 0.0 111.439 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.1 p -87.74 -11.24 48.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 126.644 1.978 . . . . 0.0 112.651 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.4 150.16 44.21 Favored 'General case' 0 CA--C 1.611 3.292 0 CA-C-O 125.509 2.576 . . . . 0.0 111.519 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 44.6 p -139.8 169.29 12.43 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 116.563 -3.836 . . . . 0.0 110.108 177.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -58.19 -35.27 98.88 Favored 'Trans proline' 0 CA--C 1.553 1.438 1 C-N-CA 113.081 -4.146 . . . . 0.0 114.618 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.283 . . -64.37 -37.67 88.33 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -62.74 -36.08 81.86 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.471 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.6 mt -103.87 17.15 24.7 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 122.744 2.52 . . . . 0.0 116.346 -171.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.465 57.9 mm-40 63.08 34.76 13.51 Favored 'General case' 0 N--CA 1.507 2.413 0 CA-C-N 122.16 2.254 . . . . 0.0 112.466 167.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 32.1 mtp -87.79 144.12 26.78 Favored 'General case' 0 C--O 1.202 -1.419 1 C-N-CA 131.778 4.031 . . . . 0.0 113.619 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -117.72 178.88 4.24 Favored 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 124.431 2.062 . . . . 0.0 110.985 163.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -52.37 140.92 20.8 Favored 'General case' 0 C--N 1.408 3.133 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 167.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 66.62 18.78 10.8 Favored 'General case' 0 C--O 1.164 -3.403 0 C-N-CA 130.051 3.34 . . . . 0.0 112.15 177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.97 146.31 54.85 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 146.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -127.35 114.58 17.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.498 -170.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 72.9 mt -69.89 129.37 34.15 Favored 'Isoleucine or valine' 0 C--O 1.294 3.443 0 CA-C-O 127.934 3.73 . . . . 0.0 114.212 162.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -90.65 122.03 33.08 Favored 'General case' 0 C--O 1.262 1.738 1 CA-C-N 108.259 -4.064 . . . . 0.0 114.04 -177.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 20.3 t -100.62 118.06 46.75 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.444 0 C-N-CA 126.636 1.974 . . . . 0.0 108.795 175.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -111.23 -174.87 2.57 Favored 'General case' 0 C--O 1.26 1.616 0 C-N-CA 130.025 3.33 . . . . 0.0 107.415 168.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -134.53 166.17 23.51 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 127.395 2.278 . . . . 0.0 116.541 167.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -124.43 137.63 54.43 Favored 'General case' 0 N--CA 1.515 2.803 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.128 162.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -94.16 158.53 15.56 Favored 'General case' 0 C--O 1.276 2.468 0 O-C-N 127.823 3.202 . . . . 0.0 107.983 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.3 p -98.8 19.18 15.34 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.713 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.1 -168.87 21.4 Favored Glycine 0 CA--C 1.538 1.503 0 CA-C-O 115.471 -2.85 . . . . 0.0 113.27 173.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.79 166.01 12.47 Favored Glycine 0 N--CA 1.417 -2.57 0 O-C-N 126.788 2.111 . . . . 0.0 110.935 -163.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.58 113.44 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.415 0 C-N-CA 124.798 1.239 . . . . 0.0 109.913 168.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.507 2.4 0 CA-C-O 114.885 -2.483 . . . . 0.0 111.996 -174.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -77.02 -42.87 36.84 Favored 'General case' 0 CA--C 1.557 1.224 0 O-C-N 124.192 0.933 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -136.57 68.08 1.44 Allowed 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.762 2.425 . . . . 0.0 116.134 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.92 44.82 1.0 Allowed 'General case' 1 C--O 1.306 4.072 0 N-CA-C 116.35 1.981 . . . . 0.0 116.35 -175.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -141.59 124.05 15.8 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-O 124.735 2.207 . . . . 0.0 111.609 169.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 mp -126.75 95.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.369 1.456 0 O-C-N 118.261 -2.775 . . . . 0.0 111.048 -176.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.59 114.98 29.69 Favored 'Isoleucine or valine' 0 C--N 1.405 2.989 0 O-C-N 119.559 -1.963 . . . . 0.0 115.1 -174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.299 44.1 mt -128.72 142.09 44.86 Favored 'Isoleucine or valine' 0 C--O 1.281 2.748 0 CA-C-O 115.516 -2.183 . . . . 0.0 112.272 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.86 -7.22 56.38 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 118.001 -2.937 . . . . 0.0 113.536 -166.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -121.67 165.44 15.76 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 127.052 2.141 . . . . 0.0 112.293 173.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 -173.43 54.83 Favored Glycine 0 N--CA 1.418 -2.539 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 -176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -78.26 160.47 27.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 126.826 3.203 . . . . 0.0 112.125 175.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.347 1 O-C-N 115.043 -4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.18 157.09 35.13 Favored 'General case' 0 C--O 1.281 2.737 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -78.08 67.44 3.91 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 124.191 0.932 . . . . 0.0 111.413 159.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -138.2 113.21 9.19 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-O 124.103 1.906 . . . . 0.0 111.244 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . 0.273 74.5 tttt -72.8 125.35 91.21 Favored Pre-proline 0 C--N 1.39 2.355 0 C-N-CA 128.376 2.67 . . . . 0.0 106.864 177.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -63.86 148.68 91.75 Favored 'Trans proline' 0 N--CA 1.415 -3.131 0 C-N-CA 121.981 1.787 . . . . 0.0 113.613 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -68.31 132.93 47.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.707 2.003 . . . . 0.0 108.832 -164.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -152.65 131.27 12.28 Favored 'General case' 0 N--CA 1.506 2.339 1 C-N-CA 134.418 5.087 . . . . 0.0 111.113 178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.11 15.82 15.11 Favored Glycine 0 N--CA 1.41 -3.09 0 CA-C-N 120.945 1.702 . . . . 0.0 114.895 -161.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 t -79.94 77.59 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.518 2.937 0 CA-C-N 118.482 1.141 . . . . 0.0 111.135 -160.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -152.85 150.48 29.37 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.082 1.353 . . . . 0.0 110.757 166.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -73.44 -26.66 61.04 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 131.246 3.818 . . . . 0.0 116.923 172.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.53 -27.63 67.78 Favored 'General case' 0 CA--C 1.586 2.335 0 C-N-CA 123.616 0.766 . . . . 0.0 111.432 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -79.07 -4.9 52.49 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.652 2.093 . . . . 0.0 116.652 -172.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.01 134.74 53.53 Favored 'General case' 0 CA--C 1.597 2.777 0 O-C-N 118.688 -2.507 . . . . 0.0 108.517 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -65.58 137.96 57.72 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 118.754 -2.466 . . . . 0.0 113.08 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.264 64.4 m80 -56.55 165.49 1.12 Allowed 'General case' 0 C--N 1.373 1.623 0 CA-C-O 124.604 2.145 . . . . 0.0 115.089 162.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 tt -105.28 150.37 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.455 0 CA-C-N 112.579 -2.101 . . . . 0.0 115.073 163.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -127.11 110.05 12.51 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.895 1.678 . . . . 0.0 109.751 -168.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.5 mt -134.75 138.35 44.26 Favored 'General case' 0 C--O 1.2 -1.516 0 C-N-CA 123.946 0.898 . . . . 0.0 111.909 -169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -102.22 157.06 17.16 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 128.962 2.905 . . . . 0.0 110.609 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.51 136.66 60.15 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 167.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.82 14.86 Favored 'General case' 0 CA--C 1.478 -1.791 0 N-CA-C 115.791 1.775 . . . . 0.0 115.791 -166.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.88 169.54 13.01 Favored Glycine 1 CA--C 1.598 5.258 0 O-C-N 125.794 1.934 . . . . 0.0 110.454 -161.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -68.86 -27.36 65.75 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 118.097 2.629 . . . . 0.0 118.097 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 p30 -60.54 -16.04 33.5 Favored 'General case' 0 C--O 1.199 -1.555 0 N-CA-C 119.807 3.262 . . . . 0.0 119.807 163.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.05 15.05 24.91 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 129.78 3.562 . . . . 0.0 116.519 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.3 p -100.01 160.74 14.08 Favored 'General case' 0 N--CA 1.518 2.952 0 CA-C-O 123.349 1.547 . . . . 0.0 109.707 -169.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -140.65 134.36 33.36 Favored 'Isoleucine or valine' 0 C--O 1.191 -1.998 0 C-N-CA 126.884 2.074 . . . . 0.0 111.539 174.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.9 m -117.0 158.28 17.6 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.729 0 O-C-N 124.418 1.074 . . . . 0.0 111.684 151.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -123.53 139.82 53.63 Favored 'General case' 0 CA--C 1.591 2.539 0 O-C-N 125.129 1.518 . . . . 0.0 111.183 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -114.64 140.43 48.83 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 117.571 -3.206 . . . . 0.0 111.354 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -114.5 111.73 21.85 Favored 'General case' 0 N--CA 1.528 3.433 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 171.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 pt -137.27 -177.78 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.577 1.989 0 C-N-CA 128.869 2.867 . . . . 0.0 109.597 -171.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -102.36 168.99 8.97 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 131.199 3.8 . . . . 0.0 111.007 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -66.51 -31.17 71.73 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 120.421 3.489 . . . . 0.0 120.421 -171.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -108.78 10.14 26.75 Favored 'General case' 0 CA--C 1.575 1.929 0 O-C-N 128.546 3.653 . . . . 0.0 112.305 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 m -68.82 123.06 87.13 Favored Pre-proline 0 CA--C 1.493 -1.235 0 O-C-N 118.364 -2.71 . . . . 0.0 113.177 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.466 ' HG2' ' HD2' ' B' ' 42' ' ' LYS . 50.2 Cg_endo -69.05 113.0 3.11 Favored 'Trans proline' 0 C--O 1.262 1.68 0 C-N-CA 123.741 2.96 . . . . 0.0 115.093 -175.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.48 -14.19 2.88 Favored 'General case' 0 N--CA 1.506 2.331 0 CA-C-O 115.975 -1.964 . . . . 0.0 112.836 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 42.2 p -62.89 -33.01 74.4 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.493 1.497 . . . . 0.0 113.587 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' B' ' 39' ' ' PRO . 81.1 mttt -57.22 -42.95 82.34 Favored 'General case' 0 C--O 1.27 2.16 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 172.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 43' ' ' LEU . 5.1 mp -64.66 -54.19 35.59 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 128.342 2.657 . . . . 0.0 110.98 170.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 70.8 mtm -64.21 -45.32 88.81 Favored 'General case' 0 C--N 1.28 -2.448 0 C-N-CA 124.388 1.075 . . . . 0.0 112.018 -168.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -56.59 -37.96 71.33 Favored 'General case' 0 C--O 1.265 1.917 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 167.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.94 -33.75 76.79 Favored 'General case' 0 C--O 1.267 2.023 0 CA-C-N 113.874 -1.512 . . . . 0.0 112.281 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -91.23 -24.87 19.76 Favored 'General case' 0 N--CA 1.39 -3.43 0 C-N-CA 125.123 1.369 . . . . 0.0 111.461 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 51.7 t -66.89 -34.81 78.61 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.498 -0.751 . . . . 0.0 110.989 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -80.59 -14.34 58.28 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 125.399 2.523 . . . . 0.0 112.514 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -80.21 -15.12 57.72 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 120.535 3.531 . . . . 0.0 120.535 167.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -90.56 -18.35 25.38 Favored 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 131.072 3.749 . . . . 0.0 111.324 160.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.98 6.85 10.57 Favored Glycine 0 N--CA 1.494 2.551 0 O-C-N 116.582 -3.823 . . . . 0.0 116.122 -170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . 0.369 21.6 mt -79.61 -178.95 6.6 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 127.986 2.514 . . . . 0.0 106.634 173.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . 0.25 22.8 t -110.27 143.67 40.11 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 113.902 -2.952 . . . . 0.0 114.886 172.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 76.4 mtp -63.91 -8.4 11.11 Favored 'General case' 0 C--O 1.166 -3.304 0 CA-C-N 125.188 3.631 . . . . 0.0 112.594 171.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 ttt-85 -55.63 -43.61 76.35 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 125.016 1.326 . . . . 0.0 114.576 166.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -107.59 -32.3 7.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 130.337 3.455 . . . . 0.0 115.549 -173.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 pt -90.37 166.3 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 118.365 -1.334 . . . . 0.0 112.537 172.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -138.77 152.92 48.34 Favored 'General case' 0 C--O 1.19 -2.04 0 C-N-CA 128.872 2.869 . . . . 0.0 110.968 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -133.64 134.51 43.26 Favored 'General case' 0 N--CA 1.514 2.765 0 C-N-CA 127.755 2.422 . . . . 0.0 110.297 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -145.75 151.34 37.82 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 113.032 -1.895 . . . . 0.0 115.421 -174.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -140.76 122.91 15.71 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 126.597 2.436 . . . . 0.0 108.188 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.3 t0 58.91 35.02 23.98 Favored 'General case' 0 N--CA 1.409 -2.523 0 C-N-CA 130.7 3.6 . . . . 0.0 110.986 -162.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.17 -1.36 2.01 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 116.155 1.222 . . . . 0.0 116.155 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.41 143.59 88.06 Favored Pre-proline 0 C--N 1.284 -2.266 0 O-C-N 117.474 -3.368 . . . . 0.0 112.746 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.42 133.68 12.03 Favored 'Trans proline' 0 CA--C 1.503 -1.072 0 C-N-CA 124.857 3.704 . . . . 0.0 110.321 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . 0.276 4.0 mt -84.61 117.14 29.45 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 113.175 -3.298 . . . . 0.0 113.18 -178.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.86 161.39 28.46 Favored 'General case' 0 C--O 1.197 -1.658 1 O-C-N 131.615 5.572 . . . . 0.0 112.356 174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -71.55 -25.46 62.23 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 120.978 1.717 . . . . 0.0 112.452 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -86.3 -3.62 59.02 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 127.921 2.488 . . . . 0.0 116.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -76.81 148.39 36.62 Favored 'General case' 0 C--O 1.268 2.045 0 CA-C-O 125.476 2.56 . . . . 0.0 108.552 177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 51.0 p -131.38 158.55 74.96 Favored Pre-proline 0 N--CA 1.484 1.234 0 CA-C-N 111.858 -2.428 . . . . 0.0 110.829 178.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -50.12 -32.18 30.95 Favored 'Trans proline' 0 CA--C 1.551 1.344 0 CA-C-O 123.227 1.261 . . . . 0.0 114.611 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.21 67.18 Favored 'General case' 0 C--N 1.385 2.109 0 N-CA-C 118.987 2.958 . . . . 0.0 118.987 168.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.419 ' HB3' ' H ' ' B' ' 72' ' ' THR . 37.5 tp60 -62.21 -28.55 69.76 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 123.468 0.707 . . . . 0.0 112.608 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.81 -14.11 40.42 Favored 'General case' 0 C--O 1.268 2.062 0 O-C-N 118.275 -2.765 . . . . 0.0 116.819 175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.378 71.0 mm-40 65.82 19.96 11.38 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 117.632 -3.167 . . . . 0.0 113.606 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtp -58.03 165.88 1.72 Allowed 'General case' 0 N--CA 1.413 -2.284 0 O-C-N 127.31 2.882 . . . . 0.0 112.642 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -143.4 179.84 6.86 Favored 'General case' 0 C--O 1.193 -1.903 0 C-N-CA 127.017 2.127 . . . . 0.0 112.358 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.91 144.29 49.27 Favored 'General case' 0 N--CA 1.406 -2.645 0 CA-C-N 121.846 2.112 . . . . 0.0 109.372 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.293 56.3 mm-40 71.72 -4.51 1.89 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -176.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.76 137.01 55.11 Favored 'General case' 0 CA--C 1.592 2.563 0 O-C-N 120.179 -1.575 . . . . 0.0 109.278 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 47.3 m -132.01 120.92 23.08 Favored 'General case' 0 C--N 1.282 -2.367 0 O-C-N 119.745 -1.847 . . . . 0.0 109.725 -162.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 97.6 mt -75.52 136.11 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.961 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.633 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -99.38 152.7 19.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 117.385 -1.293 . . . . 0.0 108.815 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 85.3 t -111.66 141.68 26.36 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 112.597 -3.573 . . . . 0.0 110.069 168.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -140.51 -172.15 3.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 125.58 1.8 . . . . 0.0 112.914 162.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -115.37 157.23 24.18 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 120.18 -1.575 . . . . 0.0 114.045 169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -129.21 148.23 51.12 Favored 'General case' 0 C--O 1.258 1.543 0 C-N-CA 126.735 2.014 . . . . 0.0 107.926 160.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -115.76 168.64 9.86 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 127.901 3.25 . . . . 0.0 108.925 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 40.9 p -70.85 -44.57 66.15 Favored 'General case' 0 N--CA 1.522 3.158 0 C-N-CA 128.396 2.678 . . . . 0.0 109.998 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.59 -171.46 33.62 Favored Glycine 0 CA--C 1.554 2.501 0 CA-C-O 118.023 -1.431 . . . . 0.0 115.956 -169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -64.75 158.16 44.49 Favored Glycine 1 N--CA 1.524 4.557 0 CA-C-N 121.231 2.516 . . . . 0.0 113.281 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 119.66 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.768 0 O-C-N 120.997 -1.296 . . . . 0.0 110.905 -173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 . . . . . 0 C--O 1.197 -1.67 0 O-C-N 118.293 -2.755 . . . . 0.0 109.832 -164.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.891 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -59.99 -22.13 62.17 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -121.03 4.93 10.4 Favored 'General case' 0 CA--C 1.579 2.086 0 C-N-CA 127.747 2.419 . . . . 0.0 112.666 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.27 36.14 0.12 Allowed 'General case' 0 CA--C 1.573 1.852 0 O-C-N 117.036 -3.54 . . . . 0.0 118.821 -173.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -142.38 139.08 31.59 Favored 'General case' 0 C--O 1.274 2.374 0 O-C-N 125.11 1.506 . . . . 0.0 113.602 -172.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.7 144.38 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 130.749 3.62 . . . . 0.0 106.909 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.04 136.11 58.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 125.575 1.797 . . . . 0.0 109.55 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -134.69 135.15 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.161 1 O-C-N 116.121 -4.112 . . . . 0.0 110.917 171.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -94.58 4.8 53.4 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-N 118.505 0.593 . . . . 0.0 109.991 -171.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -112.86 160.17 18.29 Favored 'General case' 0 N--CA 1.403 -2.819 0 O-C-N 120.941 -1.1 . . . . 0.0 109.013 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.71 -147.64 23.09 Favored Glycine 0 N--CA 1.492 2.395 0 C-N-CA 127.262 2.363 . . . . 0.0 111.25 172.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.77 125.95 23.48 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 127.484 2.314 . . . . 0.0 116.48 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.179 0 O-C-N 121.243 -0.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.0 mtp . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.5 144.9 50.29 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 125.887 2.756 . . . . 0.0 112.547 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -96.45 50.99 1.16 Allowed 'General case' 0 C--O 1.168 -3.233 0 CA-C-O 124.186 1.946 . . . . 0.0 109.948 -175.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.36 126.58 31.0 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-N 112.62 -2.082 . . . . 0.0 113.032 -166.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -68.0 135.35 91.83 Favored Pre-proline 0 CA--C 1.571 1.751 0 CA-C-O 116.008 -1.949 . . . . 0.0 110.746 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -67.47 129.25 19.75 Favored 'Trans proline' 0 N--CA 1.51 2.467 0 C-N-CA 123.635 2.89 . . . . 0.0 110.769 168.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.2 126.53 29.86 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 127.324 2.25 . . . . 0.0 114.307 171.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -132.29 157.09 45.31 Favored 'General case' 0 C--O 1.193 -1.886 0 O-C-N 126.968 2.668 . . . . 0.0 114.75 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.9 4.49 30.19 Favored Glycine 1 CA--C 1.447 -4.175 0 C-N-CA 129.745 3.545 . . . . 0.0 114.246 -171.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.57 55.66 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 120.073 1.936 . . . . 0.0 107.635 -169.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.57 121.53 18.83 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 129.331 3.053 . . . . 0.0 113.714 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -45.71 -27.82 0.89 Allowed 'General case' 0 C--N 1.377 1.774 0 O-C-N 119.379 -2.075 . . . . 0.0 114.916 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.21 -5.94 2.72 Favored 'General case' 0 CA--C 1.579 2.064 0 CA-C-N 124.084 3.129 . . . . 0.0 116.43 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.96 4.95 52.27 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 123.537 1.637 . . . . 0.0 113.616 -175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -77.12 144.07 38.72 Favored 'General case' 0 N--CA 1.524 3.269 0 CA-C-O 125.203 2.43 . . . . 0.0 107.152 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.08 134.79 42.96 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 119.078 -2.264 . . . . 0.0 108.18 -166.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.9 144.09 50.76 Favored 'General case' 0 CA--C 1.581 2.171 0 O-C-N 121.848 -0.532 . . . . 0.0 109.803 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.414 12.5 tt -84.91 132.8 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.653 0 CA-C-O 123.198 1.475 . . . . 0.0 108.597 170.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -108.15 122.22 46.46 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 119.947 -1.72 . . . . 0.0 106.406 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.87 150.0 52.24 Favored 'General case' 0 N--CA 1.521 3.123 0 C-N-CA 125.586 1.554 . . . . 0.0 111.248 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . 0.281 49.8 mttp -108.48 155.53 20.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 123.337 1.542 . . . . 0.0 113.919 165.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.73 137.64 40.99 Favored 'Isoleucine or valine' 0 C--N 1.385 2.138 0 CA-C-N 110.906 -2.861 . . . . 0.0 107.699 154.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . 0.333 . . -139.96 147.86 41.09 Favored 'General case' 0 C--N 1.297 -1.677 1 CA-C-O 132.611 5.957 . . . . 0.0 110.899 173.114 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.71 164.92 14.54 Favored Glycine 0 CA--C 1.561 2.937 0 O-C-N 116.513 -3.867 . . . . 0.0 107.068 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -78.52 -17.92 55.5 Favored 'General case' 0 CA--C 1.563 1.481 0 O-C-N 119.336 -2.273 . . . . 0.0 113.826 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 p30 -75.81 -14.05 60.29 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 169.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.14 -1.26 47.34 Favored Glycine 0 C--N 1.372 2.542 1 C-N-CA 131.162 4.22 . . . . 0.0 115.133 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -55.07 134.68 49.33 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 117.05 -3.618 . . . . 0.0 110.557 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 82.6 t -144.14 149.36 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.448 -2.944 0 C-N-CA 124.43 1.092 . . . . 0.0 110.649 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.97 136.89 42.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.722 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.293 41.5 tt0 -95.08 148.9 21.85 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 170.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . 0.271 89.8 m-85 -125.7 146.09 49.9 Favored 'General case' 0 C--O 1.305 3.975 1 C-N-CA 131.953 4.101 . . . . 0.0 110.827 -172.083 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -131.05 116.58 17.96 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 169.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.259 42.1 pt -133.93 167.84 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 125.663 1.585 . . . . 0.0 108.117 -170.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -92.92 152.1 19.56 Favored 'General case' 0 C--O 1.185 -2.305 0 CA-C-N 121.018 1.735 . . . . 0.0 109.862 163.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -56.21 -30.99 63.07 Favored 'General case' 0 N--CA 1.516 2.84 0 CA-C-O 125.77 2.7 . . . . 0.0 115.648 -170.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -80.19 -4.66 53.96 Favored 'General case' 0 C--N 1.399 2.742 1 O-C-N 115.368 -4.583 . . . . 0.0 116.739 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.0 m -67.95 132.17 92.24 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 121.004 1.729 . . . . 0.0 115.5 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -86.03 120.48 1.94 Allowed 'Trans proline' 0 C--N 1.392 2.828 1 C-N-CA 128.14 5.893 . . . . 0.0 111.138 -172.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 mt -73.45 -5.15 38.1 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 110.283 -3.144 . . . . 0.0 113.0 -155.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 87.6 p -50.83 -40.93 57.0 Favored 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 128.018 2.527 . . . . 0.0 110.151 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -75.68 -22.73 56.42 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 119.238 0.926 . . . . 0.0 111.304 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -41.89 76.0 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 118.157 -2.84 . . . . 0.0 112.143 165.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.5 mtm -72.51 -43.89 62.97 Favored 'General case' 0 C--O 1.289 3.142 0 C-N-CA 127.377 2.271 . . . . 0.0 111.844 -177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -63.92 -47.39 80.71 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 114.917 -2.468 . . . . 0.0 113.875 168.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.47 82.35 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 121.265 1.848 . . . . 0.0 110.793 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' B' ' 51' ' ' GLN . 57.6 t80 -50.27 -55.31 15.93 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 120.717 1.599 . . . . 0.0 114.533 162.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 11.2 t -59.67 -26.04 65.23 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 116.047 -1.93 . . . . 0.0 112.935 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.93 -58.84 6.62 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 165.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -56.2 -39.68 72.83 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.754 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' B' ' 47' ' ' TYR . 8.4 mm-40 -74.81 -35.97 62.46 Favored 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.63 -24.87 3.03 Favored Glycine 0 CA--C 1.558 2.725 0 N-CA-C 117.486 1.754 . . . . 0.0 117.486 -168.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 153.24 15.46 Favored 'General case' 0 C--O 1.262 1.763 0 O-C-N 118.807 -2.584 . . . . 0.0 110.514 165.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.8 t -76.61 150.24 36.47 Favored 'General case' 0 C--O 1.284 2.877 0 CA-C-N 112.588 -2.096 . . . . 0.0 111.709 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 53.4 mtp -66.03 -19.38 65.83 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 165.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 46.8 ttt-85 -64.78 -37.05 86.28 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 116.792 -3.693 . . . . 0.0 114.29 162.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -81.89 -42.13 19.97 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-N 122.049 2.204 . . . . 0.0 110.345 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -93.12 155.94 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -128.64 130.09 46.78 Favored 'General case' 0 C--O 1.191 -2.002 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.11 129.83 48.56 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -140.75 145.18 36.05 Favored 'General case' 0 C--O 1.208 -1.116 0 C-N-CA 127.9 2.48 . . . . 0.0 113.047 -170.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -129.74 145.59 51.54 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.033 -1.84 . . . . 0.0 106.033 165.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t0 39.6 48.56 1.87 Allowed 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.55 -40.5 1.12 Allowed Glycine 0 C--O 1.259 1.698 0 N-CA-C 117.681 1.832 . . . . 0.0 117.681 -172.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -78.1 152.03 79.12 Favored Pre-proline 0 CA--C 1.578 2.054 0 CA-C-N 122.563 3.182 . . . . 0.0 117.36 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -54.19 152.4 25.1 Favored 'Trans proline' 0 CA--C 1.48 -2.197 1 C-N-CA 126.976 5.117 . . . . 0.0 115.263 167.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.81 130.23 65.8 Favored 'Isoleucine or valine' 0 C--O 1.273 2.294 0 O-C-N 120.794 -1.191 . . . . 0.0 108.408 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.286 70.6 m-20 -84.3 149.14 26.27 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.461 178.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -61.58 -3.41 1.02 Allowed 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 121.063 1.756 . . . . 0.0 108.965 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.16 4.38 16.52 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 117.667 -3.146 . . . . 0.0 107.527 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -78.22 146.36 34.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.892 1.277 . . . . 0.0 112.422 170.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.492 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 5.6 p -131.05 163.48 48.87 Favored Pre-proline 0 C--N 1.389 2.298 0 CA-C-O 113.0 -3.381 . . . . 0.0 109.0 -176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.81 -38.75 78.48 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 CA-C-N 124.389 2.603 . . . . 0.0 117.784 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.85 90.95 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 171.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.492 ' HB3' ' H ' ' B' ' 72' ' ' THR . 26.5 tp60 -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.366 1.306 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.75 -3.71 39.61 Favored 'General case' 0 N--CA 1.531 3.581 0 C-N-CA 128.057 2.543 . . . . 0.0 115.935 168.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 54.82 47.1 23.1 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 127.08 2.738 . . . . 0.0 110.136 174.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -85.78 143.34 28.36 Favored 'General case' 0 N--CA 1.52 3.028 0 O-C-N 118.719 -2.488 . . . . 0.0 106.191 -172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -88.62 157.97 18.4 Favored 'General case' 0 C--O 1.252 1.222 0 C-N-CA 127.43 2.292 . . . . 0.0 112.876 164.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.58 147.95 48.7 Favored 'General case' 0 C--N 1.399 2.757 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 174.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.369 7.0 mm-40 70.68 12.28 7.26 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.955 2.102 . . . . 0.0 114.989 -165.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -71.8 165.65 23.65 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 116.834 -3.666 . . . . 0.0 117.981 159.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 46.8 m -140.96 127.07 19.51 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 119.03 -2.294 . . . . 0.0 114.882 -174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.7 mt -72.63 125.44 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.092 168.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -82.48 148.82 27.92 Favored 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 166.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 12.5 t -123.91 123.38 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.186 0 CA-C-O 114.424 -2.703 . . . . 0.0 113.271 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.1 177.24 5.08 Favored 'General case' 0 C--O 1.189 -2.128 0 C-N-CA 126.764 2.026 . . . . 0.0 111.837 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . 0.409 ' HB3' HE22 ' B' ' 90' ' ' GLN . 78.2 mt-30 -119.8 154.01 34.88 Favored 'General case' 0 C--O 1.28 2.699 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 176.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -112.42 114.91 27.87 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-O 125.549 2.595 . . . . 0.0 112.292 172.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.409 HE22 ' HB3' ' B' ' 88' ' ' GLN . 6.2 mp0 -98.5 153.61 18.49 Favored 'General case' 0 C--O 1.197 -1.658 0 CA-C-N 111.954 -2.385 . . . . 0.0 109.326 -169.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 24.0 p -65.73 -18.1 65.09 Favored 'General case' 0 N--CA 1.508 2.447 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 173.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.44 -175.19 21.41 Favored Glycine 0 N--CA 1.506 3.334 0 O-C-N 117.647 -3.158 . . . . 0.0 111.946 -168.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.91 150.42 39.35 Favored Glycine 0 N--CA 1.413 -2.834 0 CA-C-O 126.242 3.135 . . . . 0.0 114.768 -168.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.91 133.24 32.21 Favored 'Isoleucine or valine' 0 C--N 1.41 3.229 0 O-C-N 118.553 -2.734 . . . . 0.0 110.644 159.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 N--CA 1.537 3.883 0 C-N-CA 128.544 2.738 . . . . 0.0 111.419 -173.222 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -73.28 -9.94 59.23 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 117.348 2.351 . . . . 0.0 117.348 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.64 17.56 1.3 Allowed 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 125.341 2.496 . . . . 0.0 113.294 173.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.77 42.34 0.85 Allowed 'General case' 0 CA--C 1.459 -2.534 1 O-C-N 115.741 -4.35 . . . . 0.0 112.419 -169.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -145.78 126.05 13.9 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 117.014 -3.554 . . . . 0.0 111.469 -164.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -134.75 147.66 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-O 125.062 2.363 . . . . 0.0 105.285 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.03 128.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.847 0 O-C-N 119.392 -2.067 . . . . 0.0 111.045 -169.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -146.46 137.91 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.062 0 C-N-CA 127.453 2.301 . . . . 0.0 110.176 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -85.5 -11.93 52.99 Favored 'General case' 0 C--O 1.18 -2.578 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -140.86 134.08 29.56 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 125.805 2.717 . . . . 0.0 110.32 -165.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.75 -123.91 29.75 Favored Glycine 0 N--CA 1.494 2.555 1 O-C-N 115.512 -4.493 . . . . 0.0 111.029 171.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -57.68 128.21 35.91 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.416 1.886 . . . . 0.0 112.211 174.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 O-C-N 119.585 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.418 -2.049 0 CA-C-O 114.29 -2.767 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.59 166.36 19.28 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 130.967 3.707 . . . . 0.0 118.394 -164.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -167.08 47.29 0.06 Allowed 'General case' 0 CA--C 1.558 1.268 0 CA-C-O 124.988 2.328 . . . . 0.0 111.018 175.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.35 137.83 56.93 Favored 'General case' 0 N--CA 1.404 -2.756 1 O-C-N 115.443 -4.536 . . . . 0.0 109.217 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -72.4 120.48 80.74 Favored Pre-proline 0 N--CA 1.528 3.43 0 CA-C-O 116.308 -1.806 . . . . 0.0 106.406 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -78.4 144.06 20.01 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.568 2.178 . . . . 0.0 112.453 -171.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.74 127.42 28.21 Favored 'General case' 0 N--CA 1.522 3.141 0 CA-C-N 113.327 -1.761 . . . . 0.0 114.187 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 149.83 24.74 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 150.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.89 -0.66 25.67 Favored Glycine 0 CA--C 1.455 -3.667 0 CA-C-N 112.843 -1.981 . . . . 0.0 115.58 -174.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.11 128.81 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.573 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 161.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . 0.259 60.7 tttt -165.28 154.0 12.0 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 125.743 1.617 . . . . 0.0 106.731 -171.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.4 p -67.31 -39.32 85.91 Favored 'General case' 0 N--CA 1.506 2.365 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -58.4 -32.92 69.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 113.919 -2.943 . . . . 0.0 113.038 173.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -76.41 11.65 1.51 Allowed 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -67.35 156.5 36.32 Favored 'General case' 0 N--CA 1.39 -3.473 0 CA-C-N 113.671 -1.604 . . . . 0.0 115.019 167.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.14 147.69 26.7 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 126.0 1.72 . . . . 0.0 108.688 -159.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 65.9 m80 -85.14 158.73 20.31 Favored 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.062 2.145 . . . . 0.0 113.891 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 18.9 tt -100.04 142.69 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.806 0 O-C-N 128.385 3.553 . . . . 0.0 114.358 163.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -121.69 105.1 10.1 Favored 'General case' 0 CA--C 1.598 2.822 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.82 151.29 37.63 Favored 'General case' 0 CA--C 1.469 -2.167 0 C-N-CA 126.105 1.762 . . . . 0.0 108.275 -165.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -117.23 148.74 41.37 Favored 'General case' 0 CA--C 1.479 -1.764 0 C-N-CA 127.414 2.286 . . . . 0.0 108.483 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -142.27 133.79 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 129.846 3.259 . . . . 0.0 108.342 -177.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.29 131.25 23.06 Favored 'General case' 0 CA--C 1.576 1.946 0 C-N-CA 126.113 1.765 . . . . 0.0 110.372 174.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.09 -169.7 46.3 Favored Glycine 0 N--CA 1.482 1.727 0 O-C-N 119.976 -1.703 . . . . 0.0 110.386 167.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -83.0 6.99 16.92 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -167.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -76.68 -9.68 58.84 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.137 159.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.04 -13.21 5.78 Favored Glycine 1 CA--C 1.582 4.272 0 N-CA-C 118.716 2.246 . . . . 0.0 118.716 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.1 p -64.69 151.02 46.09 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 119.763 1.781 . . . . 0.0 114.191 159.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -115.77 145.31 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.018 0 CA-C-N 112.064 -2.335 . . . . 0.0 112.109 -172.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.8 146.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.645 0 O-C-N 127.397 2.936 . . . . 0.0 104.602 163.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -98.75 129.49 45.19 Favored 'General case' 0 C--O 1.258 1.551 0 CA-C-O 124.021 1.867 . . . . 0.0 110.211 168.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -95.1 141.89 28.21 Favored 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 128.618 2.767 . . . . 0.0 105.816 164.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.639 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 79.1 tttt -107.12 125.85 51.61 Favored 'General case' 1 N--CA 1.543 4.201 0 CA-C-N 109.524 -3.489 . . . . 0.0 111.084 159.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 pt -149.88 177.93 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 125.928 2.775 . . . . 0.0 109.836 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.99 154.89 20.43 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 119.043 -2.285 . . . . 0.0 112.88 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -61.28 -23.7 65.87 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.989 -1.958 . . . . 0.0 112.619 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -92.45 -4.95 52.9 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 121.655 3.946 . . . . 0.0 121.655 172.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 135.42 96.23 Favored Pre-proline 0 N--CA 1.493 1.707 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 -170.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -67.37 130.91 23.48 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 123.407 2.738 . . . . 0.0 110.805 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' B' ' 40' ' ' LEU . 48.0 mt -65.06 -10.17 28.0 Favored 'General case' 0 C--O 1.188 -2.17 0 C-N-CA 124.983 1.313 . . . . 0.0 112.548 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 90.6 p -51.82 -49.8 62.06 Favored 'General case' 0 CA--C 1.605 3.08 0 CA-C-O 121.995 0.902 . . . . 0.0 109.036 172.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -63.69 -39.33 94.05 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 112.548 -2.114 . . . . 0.0 111.736 -177.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.57 -33.61 76.04 Favored 'General case' 0 CA--C 1.592 2.596 0 O-C-N 119.387 -2.07 . . . . 0.0 114.211 171.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 75.0 mtm -77.22 -41.02 42.93 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 127.984 3.754 . . . . 0.0 109.075 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -55.44 -55.24 34.05 Favored 'General case' 0 C--N 1.27 -2.873 0 O-C-N 117.154 -3.466 . . . . 0.0 110.978 169.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.7 70.81 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 122.176 0.989 . . . . 0.0 111.092 -167.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -65.83 -35.51 80.88 Favored 'General case' 0 C--N 1.388 2.267 0 CA-C-O 115.517 -2.182 . . . . 0.0 107.16 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 t -70.67 -24.97 62.79 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 115.439 -2.22 . . . . 0.0 110.113 -176.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 -4.81 47.1 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-N 123.953 3.07 . . . . 0.0 113.064 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.9 mtt-85 -98.12 -20.51 17.28 Favored 'General case' 0 CA--C 1.482 -1.67 0 C-N-CA 129.132 2.973 . . . . 0.0 111.779 164.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -104.0 -8.42 19.6 Favored 'General case' 0 C--O 1.192 -1.95 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.82 10.29 64.17 Favored Glycine 0 CA--C 1.471 -2.683 0 CA-C-N 119.932 1.242 . . . . 0.0 114.649 165.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -89.29 154.48 20.06 Favored 'General case' 0 N--CA 1.511 2.615 0 CA-C-N 119.917 1.858 . . . . 0.0 112.01 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -51.48 103.41 0.06 Allowed 'General case' 0 C--O 1.266 1.926 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 149.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 24.5 ttt -46.81 -30.57 2.52 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 125.321 1.638 . . . . 0.0 111.726 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.13 -33.48 40.22 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-O 111.775 -3.964 . . . . 0.0 112.601 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -73.41 -20.28 60.77 Favored 'General case' 0 C--O 1.261 1.684 0 CA-C-N 124.461 3.3 . . . . 0.0 114.783 -174.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 6.4 pt -114.29 155.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 CA-C-O 122.243 1.02 . . . . 0.0 108.428 -160.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -140.58 114.91 9.29 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 118.509 -2.619 . . . . 0.0 110.546 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -86.84 134.03 33.58 Favored 'General case' 0 C--O 1.291 3.24 0 C-N-CA 127.355 2.262 . . . . 0.0 109.247 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . 0.324 92.4 mtt180 -132.93 154.53 50.34 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 128.737 2.815 . . . . 0.0 111.507 -176.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -153.45 128.74 9.81 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.083 168.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t0 56.56 30.84 17.98 Favored 'General case' 0 CA--C 1.564 1.509 0 O-C-N 126.684 2.49 . . . . 0.0 111.961 -162.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.04 7.11 65.92 Favored Glycine 0 CA--C 1.557 2.664 0 CA-C-N 124.207 3.185 . . . . 0.0 117.727 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' B' ' 66' ' ' PRO . 44.8 mm-40 -107.78 140.21 21.37 Favored Pre-proline 0 C--N 1.291 -1.952 0 C-N-CA 125.5 1.52 . . . . 0.0 114.491 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 65' ' ' GLN . 34.6 Cg_exo -65.35 143.99 78.63 Favored 'Trans proline' 0 N--CA 1.442 -1.548 0 O-C-N 127.161 3.19 . . . . 0.0 112.91 -176.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -95.47 131.53 41.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.812 0 C-N-CA 125.563 1.545 . . . . 0.0 110.319 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -83.47 151.88 25.23 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 117.501 2.408 . . . . 0.0 117.501 167.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.49 -26.56 63.56 Favored 'General case' 0 N--CA 1.516 2.865 0 O-C-N 120.912 -1.117 . . . . 0.0 112.151 160.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 40.4 p -84.64 -8.77 58.76 Favored 'General case' 0 CA--C 1.614 3.421 0 CA-C-N 119.903 1.228 . . . . 0.0 114.112 175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.18 156.38 33.71 Favored 'General case' 0 C--O 1.248 0.98 0 C-N-CA 117.737 -1.585 . . . . 0.0 112.874 176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . 0.607 ' H ' ' HB3' ' B' ' 75' ' ' GLN . 17.0 p -135.27 162.0 60.06 Favored Pre-proline 0 N--CA 1.499 1.991 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -39.58 -43.52 3.03 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 121.864 1.709 . . . . 0.0 115.426 160.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . 0.327 . . -80.82 -11.6 59.57 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.607 ' HB3' ' H ' ' B' ' 72' ' ' THR . 53.2 tp60 -89.03 -30.03 19.02 Favored 'General case' 0 C--O 1.192 -1.935 0 O-C-N 126.128 2.142 . . . . 0.0 112.595 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . 0.277 28.3 mt -96.65 4.98 51.58 Favored 'General case' 0 C--O 1.2 -1.504 0 C-N-CA 127.141 2.176 . . . . 0.0 112.479 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 49.15 43.84 22.74 Favored 'General case' 0 N--CA 1.514 2.736 0 C-N-CA 126.943 2.097 . . . . 0.0 112.592 -168.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.6 mtp -78.84 148.83 32.68 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 118.759 -2.463 . . . . 0.0 114.096 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -124.14 156.25 37.02 Favored 'General case' 0 C--O 1.274 2.373 0 C-N-CA 131.31 3.844 . . . . 0.0 108.144 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.85 148.27 47.63 Favored 'General case' 0 C--N 1.274 -2.698 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.272 50.3 mt-10 62.45 11.07 4.37 Favored 'General case' 0 CA--C 1.573 1.836 0 O-C-N 126.804 2.565 . . . . 0.0 114.247 -171.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.49 132.49 53.56 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 126.756 2.022 . . . . 0.0 108.787 162.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 31.2 m -104.7 127.73 52.56 Favored 'General case' 0 N--CA 1.516 2.833 0 CA-C-O 124.313 2.006 . . . . 0.0 109.959 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 50.2 mt -94.37 123.16 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.468 0 CA-C-O 125.997 2.808 . . . . 0.0 111.153 166.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -82.66 151.3 26.33 Favored 'General case' 0 C--N 1.363 1.173 0 CA-C-N 111.888 -2.414 . . . . 0.0 113.765 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 19.0 t -125.9 131.12 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 119.835 -1.791 . . . . 0.0 107.045 174.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -110.38 179.34 4.11 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 116.63 -1.653 . . . . 0.0 112.545 162.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -108.58 167.63 9.91 Favored 'General case' 0 C--N 1.251 -3.695 0 CA-C-N 122.379 2.354 . . . . 0.0 112.514 157.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -81.13 147.07 30.23 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 129.916 3.287 . . . . 0.0 106.767 163.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -123.38 160.67 26.29 Favored 'General case' 0 C--O 1.189 -2.099 0 O-C-N 120.426 -1.421 . . . . 0.0 110.568 162.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.4 p -103.52 -40.69 6.23 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 128.805 2.842 . . . . 0.0 110.548 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.76 144.74 11.0 Favored Glycine 1 N--CA 1.522 4.393 0 CA-C-O 123.89 1.828 . . . . 0.0 115.053 -174.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -61.24 126.41 40.14 Favored Glycine 0 N--CA 1.507 3.421 0 O-C-N 116.936 -3.684 . . . . 0.0 113.996 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 t -48.85 116.81 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.552 0 C-N-CA 128.265 2.626 . . . . 0.0 115.31 -172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.312 -1.048 0 O-C-N 128.368 3.543 . . . . 0.0 113.86 162.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -72.3 -21.77 61.29 Favored 'General case' 0 CA--C 1.56 1.33 0 O-C-N 127.755 3.159 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' CG ' HH12 ' B' ' 50' ' ' ARG . 47.9 t0 -155.55 40.29 0.4 Allowed 'General case' 0 C--O 1.258 1.515 0 C-N-CA 126.636 1.974 . . . . 0.0 115.698 -170.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -111.22 33.39 4.68 Favored 'General case' 0 C--N 1.286 -2.166 0 C-N-CA 126.104 1.762 . . . . 0.0 112.876 -168.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.415 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.2 t80 -145.35 148.22 33.15 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 127.157 2.785 . . . . 0.0 110.268 -168.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' PHE . 4.2 mp -150.46 132.26 5.49 Favored 'Isoleucine or valine' 0 C--N 1.375 1.68 0 O-C-N 120.205 -1.559 . . . . 0.0 107.909 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.5 t -129.03 126.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 129.425 3.09 . . . . 0.0 103.943 -162.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.7 mt -152.39 125.54 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.522 3.142 0 O-C-N 119.706 -1.871 . . . . 0.0 111.851 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -106.72 10.76 30.82 Favored 'General case' 0 CA--C 1.622 3.713 0 C-N-CA 116.847 -1.941 . . . . 0.0 115.258 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -63.28 144.37 57.0 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.108 173.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.74 162.83 33.79 Favored Glycine 0 N--CA 1.511 3.655 1 O-C-N 114.63 -5.043 . . . . 0.0 114.399 155.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -57.58 157.93 6.5 Favored 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.198 2.999 . . . . 0.0 111.19 160.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.884 0 CA-C-N 114.528 -1.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 CA--C 1.595 2.684 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 158.85 23.37 Favored 'General case' 0 C--O 1.252 1.22 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -164.28 152.11 12.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.809 -1.807 . . . . 0.0 115.418 168.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.24 141.79 22.6 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 124.107 0.963 . . . . 0.0 109.821 -169.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 tttm -47.3 130.99 9.87 Favored Pre-proline 0 N--CA 1.508 2.47 0 N-CA-C 118.951 2.945 . . . . 0.0 118.951 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.52 141.71 56.52 Favored 'Trans proline' 0 N--CA 1.443 -1.496 0 C-N-CA 122.306 2.004 . . . . 0.0 110.412 -173.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.1 131.62 51.12 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-O 124.159 1.933 . . . . 0.0 109.048 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -112.68 149.45 32.87 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.64 3.176 . . . . 0.0 109.535 166.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.75 -22.26 3.36 Favored Glycine 0 CA--C 1.563 3.06 0 O-C-N 126.176 2.173 . . . . 0.0 116.099 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 83.8 t -81.81 101.79 7.01 Favored 'Isoleucine or valine' 0 C--O 1.281 2.718 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 175.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -150.97 149.41 29.57 Favored 'General case' 0 N--CA 1.526 3.334 0 O-C-N 126.53 2.394 . . . . 0.0 113.413 167.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.2 p -49.34 -39.85 33.18 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 124.135 0.897 . . . . 0.0 112.821 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -59.58 -18.94 45.19 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 127.816 2.446 . . . . 0.0 117.282 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -96.66 12.53 31.46 Favored 'General case' 0 N--CA 1.419 -2.009 0 O-C-N 117.079 -3.513 . . . . 0.0 113.846 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.37 138.35 58.38 Favored 'General case' 0 N--CA 1.427 -1.621 0 O-C-N 118.748 -2.47 . . . . 0.0 107.927 163.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -76.81 143.22 39.93 Favored 'General case' 0 N--CA 1.482 1.142 1 C-N-CA 133.446 4.698 . . . . 0.0 109.048 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' HE2' ' B' ' 33' ' ' LYS . 64.7 m80 -72.98 161.73 30.34 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 119.928 -1.732 . . . . 0.0 110.324 173.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 tt -99.33 124.32 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.879 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.774 161.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -93.72 93.92 8.28 Favored 'General case' 0 C--O 1.186 -2.281 0 CA-C-O 113.626 -3.083 . . . . 0.0 113.135 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 mt -76.84 165.44 24.7 Favored 'General case' 0 N--CA 1.417 -2.12 0 O-C-N 126.411 2.32 . . . . 0.0 115.013 170.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -113.22 162.33 16.13 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 118.528 -2.608 . . . . 0.0 112.137 159.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 38.7 t -146.13 136.05 17.8 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.034 0 O-C-N 117.585 -3.197 . . . . 0.0 107.644 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.495 ' HB2' HG22 ' B' ' 29' ' ' VAL . . . -142.6 160.55 40.08 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.936 2.303 . . . . 0.0 112.837 164.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.82 -172.06 31.61 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 112.099 -2.319 . . . . 0.0 112.638 168.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -85.26 -11.19 55.39 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.361 -1.67 . . . . 0.0 113.106 -174.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -58.94 -22.94 60.84 Favored 'General case' 0 N--CA 1.518 2.928 0 O-C-N 118.925 -2.359 . . . . 0.0 117.214 155.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.02 -28.41 12.16 Favored Glycine 0 C--N 1.361 1.972 0 N-CA-C 117.504 1.761 . . . . 0.0 117.504 171.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 p -61.28 136.63 58.11 Favored 'General case' 0 C--O 1.25 1.081 0 O-C-N 120.0 -1.882 . . . . 0.0 115.506 -174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.495 HG22 ' HB2' ' B' ' 23' ' ' ALA . 84.1 t -115.74 145.0 22.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 O-C-N 125.456 1.723 . . . . 0.0 106.932 -170.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 39' ' ' ALA . 34.6 m -124.91 152.06 30.95 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.665 0 O-C-N 126.393 2.308 . . . . 0.0 112.457 164.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.77 130.61 48.23 Favored 'General case' 0 N--CA 1.529 3.497 0 C-N-CA 115.433 -2.507 . . . . 0.0 109.806 173.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -91.77 107.9 19.53 Favored 'General case' 0 N--CA 1.415 -2.183 0 C-N-CA 130.588 3.555 . . . . 0.0 112.785 165.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HE2' ' ND1' ' B' ' 17' ' ' HIS . 80.9 tttt -88.58 103.81 16.25 Favored 'General case' 0 CA--C 1.471 -2.064 0 O-C-N 120.189 -1.569 . . . . 0.0 111.639 166.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.263 2.6 pt -120.06 161.24 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.115 0 C-N-CA 126.073 1.749 . . . . 0.0 112.058 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -77.65 153.48 33.1 Favored 'General case' 0 C--O 1.236 0.357 1 O-C-N 115.942 -4.224 . . . . 0.0 112.172 163.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -70.17 -9.68 56.46 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -112.61 17.0 19.53 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 173.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 m -87.66 134.57 35.48 Favored Pre-proline 0 C--N 1.383 2.056 0 C-N-CA 128.911 2.885 . . . . 0.0 111.101 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -53.2 145.06 45.24 Favored 'Trans proline' 0 C--O 1.259 1.533 0 C-N-CA 121.913 1.742 . . . . 0.0 113.155 175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -73.56 -18.93 61.02 Favored 'General case' 1 N--CA 1.552 4.67 0 CA-C-N 110.904 -2.862 . . . . 0.0 112.688 165.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' B' ' 69' ' ' GLU . 78.2 p -43.75 -46.67 7.72 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 124.528 2.109 . . . . 0.0 113.975 161.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.288 75.6 mttt -67.36 -37.2 82.83 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 117.601 -3.187 . . . . 0.0 112.894 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.52 -32.51 54.1 Favored 'General case' 0 C--O 1.204 -1.302 0 CA-C-O 114.698 -2.572 . . . . 0.0 110.975 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.2 mtm -77.43 -35.14 54.31 Favored 'General case' 1 N--CA 1.541 4.115 0 CA-C-O 114.929 -2.463 . . . . 0.0 108.977 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -70.56 -38.17 74.08 Favored 'General case' 0 C--O 1.264 1.846 0 CA-C-O 115.971 -1.966 . . . . 0.0 113.62 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.49 57.12 Favored 'General case' 0 CA--C 1.452 -2.8 0 O-C-N 126.704 2.502 . . . . 0.0 113.779 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -59.2 -47.11 86.53 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 117.486 -3.259 . . . . 0.0 112.397 167.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.38 -35.35 75.72 Favored 'General case' 0 C--O 1.251 1.161 0 N-CA-C 119.206 3.039 . . . . 0.0 119.206 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -69.57 -19.49 63.68 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 117.437 -1.268 . . . . 0.0 113.604 169.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.528 HH12 ' CG ' ' A' ' 38' ' ' ASP . 53.2 mtt-85 -82.63 -29.78 29.86 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 168.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -71.99 -24.18 61.54 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.091 1.314 . . . . 0.0 110.642 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.83 6.3 65.59 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 117.46 1.744 . . . . 0.0 117.46 -170.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -96.62 160.36 14.43 Favored 'General case' 0 N--CA 1.484 1.248 1 O-C-N 113.895 -5.473 . . . . 0.0 112.732 -171.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -70.43 144.28 51.55 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.06 -1.65 . . . . 0.0 108.729 149.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 40.4 ttp -65.87 -24.4 66.86 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -49.76 -35.68 23.26 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 128.219 2.607 . . . . 0.0 110.215 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -69.09 -14.45 63.02 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 128.037 2.535 . . . . 0.0 115.961 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -138.74 171.18 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 CA-C-O 122.729 1.252 . . . . 0.0 111.6 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -127.16 149.74 49.83 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.896 2.078 . . . . 0.0 112.422 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -120.69 137.9 54.23 Favored 'General case' 0 C--O 1.254 1.324 1 C-N-CA 132.148 4.179 . . . . 0.0 117.22 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -147.49 144.19 28.39 Favored 'General case' 0 C--N 1.413 3.336 0 CA-C-O 125.874 2.749 . . . . 0.0 111.505 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -126.74 134.05 50.73 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-N 111.909 -2.405 . . . . 0.0 113.813 165.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t0 45.44 38.88 4.06 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.034 -170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.19 -9.04 56.22 Favored Glycine 0 C--O 1.289 3.548 0 CA-C-O 118.016 -1.436 . . . . 0.0 115.298 172.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -99.09 145.48 30.08 Favored Pre-proline 0 CA--C 1.578 2.04 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.22 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 122.921 2.414 . . . . 0.0 114.415 168.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.36 129.55 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.642 0 CA-C-O 117.127 -1.416 . . . . 0.0 111.945 171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.32 153.29 20.03 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 124.283 3.22 . . . . 0.0 107.718 173.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 41' ' ' SER . 5.4 mt-10 -61.44 -19.31 61.84 Favored 'General case' 0 CA--C 1.588 2.441 1 O-C-N 116.295 -4.003 . . . . 0.0 113.716 170.765 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 41.3 p -94.59 -3.83 48.92 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -71.18 167.8 18.59 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 123.951 1.834 . . . . 0.0 112.143 175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -140.86 165.95 26.11 Favored Pre-proline 0 CA--C 1.565 1.535 0 O-C-N 119.037 -2.289 . . . . 0.0 106.477 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -23.74 76.8 Favored 'Trans proline' 0 CA--C 1.574 2.517 0 CA-C-N 120.815 1.327 . . . . 0.0 112.363 169.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.84 57.77 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -68.66 -38.16 80.22 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 126.308 1.843 . . . . 0.0 106.033 -170.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 92.6 mt -90.45 6.05 44.99 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 69.83 32.49 3.16 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 127.066 2.147 . . . . 0.0 113.438 163.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.8 mtp -81.53 163.35 22.73 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 131.142 3.777 . . . . 0.0 116.802 -160.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -126.29 162.77 24.7 Favored 'General case' 0 N--CA 1.522 3.148 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 166.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.78 137.84 11.87 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 111.291 -2.686 . . . . 0.0 115.287 169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 59.79 30.09 19.65 Favored 'General case' 0 C--N 1.29 -1.997 0 C-N-CA 125.474 1.509 . . . . 0.0 112.174 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -79.56 134.39 36.48 Favored 'General case' 0 C--O 1.282 2.8 0 C-N-CA 125.507 1.523 . . . . 0.0 110.131 155.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.4 m -121.46 132.68 54.87 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 -172.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 89.0 mt -85.92 133.79 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.792 1 C-N-CA 131.708 4.003 . . . . 0.0 113.424 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -94.17 130.3 40.44 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 130.614 3.566 . . . . 0.0 111.87 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.3 t -122.88 140.37 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.229 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.17 150.09 48.89 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 126.792 2.037 . . . . 0.0 109.751 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -73.52 146.03 45.14 Favored 'General case' 0 CA--C 1.593 2.605 0 C-N-CA 127.789 2.436 . . . . 0.0 109.874 164.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -100.1 137.9 37.9 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-N 122.069 2.213 . . . . 0.0 108.237 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -122.21 112.04 17.68 Favored 'General case' 0 C--O 1.193 -1.883 0 C-N-CA 128.46 2.704 . . . . 0.0 105.919 -168.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 4.2 p -61.91 -25.67 67.71 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 119.378 3.103 . . . . 0.0 119.378 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.33 169.96 22.97 Favored Glycine 0 CA--C 1.475 -2.408 0 CA-C-O 124.924 2.402 . . . . 0.0 116.072 -178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.18 -166.34 2.07 Favored Glycine 0 C--O 1.209 -1.465 0 O-C-N 118.747 -2.62 . . . . 0.0 112.531 173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 71.0 t -143.09 135.68 24.97 Favored 'Isoleucine or valine' 0 C--O 1.277 2.522 0 O-C-N 118.016 -3.049 . . . . 0.0 111.795 -166.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 119.931 1.242 . . . . 0.0 113.415 -178.231 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.49 -24.42 66.58 Favored 'General case' 0 C--O 1.204 -1.309 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . 0.297 23.3 t0 -127.05 25.14 6.28 Favored 'General case' 0 C--O 1.16 -3.607 0 C-N-CA 129.253 3.021 . . . . 0.0 116.65 176.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 47.33 1.46 Allowed 'General case' 0 N--CA 1.518 2.968 0 CA-C-O 118.846 -0.597 . . . . 0.0 110.93 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -141.17 141.08 34.14 Favored 'General case' 0 C--O 1.162 -3.544 0 CA-C-O 125.193 2.425 . . . . 0.0 116.766 -173.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.11 138.52 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 1 O-C-N 116.192 -4.068 . . . . 0.0 108.834 179.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . 0.269 2.0 t -137.94 119.81 18.24 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.019 0 C-N-CA 128.292 2.637 . . . . 0.0 104.58 -169.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.0 mt -149.41 145.2 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 O-C-N 126.323 2.264 . . . . 0.0 106.466 -171.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -68.6 -44.21 74.8 Favored 'General case' 0 N--CA 1.521 3.089 0 O-C-N 127.626 3.079 . . . . 0.0 109.13 -175.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -73.21 125.74 28.45 Favored 'General case' 0 C--O 1.252 1.236 0 O-C-N 124.601 1.188 . . . . 0.0 109.795 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.83 -168.07 54.24 Favored Glycine 0 C--O 1.251 1.186 0 CA-C-O 122.371 0.984 . . . . 0.0 111.567 159.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -50.47 139.28 15.88 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 117.621 2.452 . . . . 0.0 117.621 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.48 0 O-C-N 118.687 -2.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.7 tpp . . . . . 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.02 127.09 30.19 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 128.949 3.906 . . . . 0.0 115.333 171.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -130.4 162.58 28.81 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.736 1.731 . . . . 0.0 112.207 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -147.43 133.15 18.91 Favored 'General case' 0 C--O 1.266 1.924 0 O-C-N 118.003 -2.936 . . . . 0.0 108.585 -172.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -73.94 127.57 87.99 Favored Pre-proline 0 C--N 1.375 1.71 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 165.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -79.05 150.42 23.15 Favored 'Trans proline' 0 C--O 1.251 1.165 0 CA-C-O 126.679 2.7 . . . . 0.0 110.317 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.54 144.23 14.02 Favored 'General case' 0 CA--C 1.565 1.536 1 C-N-CA 133.719 4.808 . . . . 0.0 114.872 -179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.39 177.49 9.4 Favored 'General case' 0 C--O 1.21 -1.014 1 O-C-N 115.069 -4.769 . . . . 0.0 111.208 -174.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.36 20.24 0.05 OUTLIER Glycine 1 C--N 1.4 4.084 0 CA-C-O 115.251 -2.971 . . . . 0.0 118.531 -166.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t -83.1 87.01 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 C-N-CA 115.034 -2.666 . . . . 0.0 110.612 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -163.28 121.34 1.96 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.972 1.709 . . . . 0.0 106.389 -166.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.3 p -60.08 -30.42 69.21 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 123.908 3.049 . . . . 0.0 114.31 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -47.69 -21.1 0.33 Allowed 'General case' 0 C--O 1.258 1.549 0 N-CA-C 117.057 2.243 . . . . 0.0 117.057 170.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -81.74 4.54 21.58 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.26 148.04 47.58 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 120.458 -1.401 . . . . 0.0 111.61 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.45 137.91 54.84 Favored 'General case' 0 CA--C 1.602 2.972 0 C-N-CA 129.345 3.058 . . . . 0.0 112.707 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.435 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 63.0 m80 -72.4 141.99 48.7 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 127.573 2.349 . . . . 0.0 112.391 170.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.336 4.7 tt -96.7 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.93 0 C-N-CA 128.065 2.546 . . . . 0.0 108.457 168.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -94.67 69.36 3.45 Favored 'General case' 0 C--N 1.311 -1.088 1 C-N-CA 135.752 5.621 . . . . 0.0 112.358 -175.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . 0.264 54.3 mt -69.59 126.95 31.3 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 171.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -82.34 158.64 23.31 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.273 3.029 . . . . 0.0 113.257 163.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.1 t -155.42 116.77 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.512 0 CA-C-O 123.399 1.571 . . . . 0.0 108.229 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.24 119.94 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-O 123.099 1.428 . . . . 0.0 112.329 -166.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.48 165.24 46.2 Favored Glycine 0 CA--C 1.553 2.419 0 C-N-CA 127.405 2.431 . . . . 0.0 112.869 167.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -77.41 -17.17 58.37 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-O 125.718 2.675 . . . . 0.0 115.968 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -81.54 15.63 2.02 Favored 'General case' 0 C--N 1.304 -1.409 1 O-C-N 114.682 -5.011 . . . . 0.0 112.873 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.04 -5.88 81.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 120.605 -1.31 . . . . 0.0 114.454 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -83.56 136.35 34.28 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 117.134 -3.568 . . . . 0.0 113.223 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -145.64 128.51 9.98 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 119.892 -1.755 . . . . 0.0 110.29 -168.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -149.34 166.46 3.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . 0.258 1.4 tt0 -126.73 149.29 49.69 Favored 'General case' 0 C--N 1.401 2.819 0 C-N-CA 124.844 1.257 . . . . 0.0 108.485 175.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -114.05 130.93 56.54 Favored 'General case' 0 N--CA 1.421 -1.912 0 CA-C-N 112.985 -1.916 . . . . 0.0 112.187 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 80.2 tttt -99.12 102.99 14.86 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 124.654 2.169 . . . . 0.0 110.429 169.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -133.24 -178.08 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.493 0 O-C-N 117.436 -3.29 . . . . 0.0 110.247 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -98.75 155.38 17.38 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . 0.253 60.7 mtp85 -63.71 -21.93 66.65 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 116.404 -1.76 . . . . 0.0 111.608 175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -90.68 11.13 23.12 Favored 'General case' 0 CA--C 1.568 1.64 0 CA-C-N 125.145 3.611 . . . . 0.0 114.434 166.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -84.45 132.01 48.45 Favored Pre-proline 0 CA--C 1.575 1.914 0 CA-C-N 121.007 1.73 . . . . 0.0 106.68 -174.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.35 135.27 46.42 Favored 'Trans proline' 0 N--CA 1.434 -1.993 0 C-N-CA 121.903 1.735 . . . . 0.0 113.174 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.61 -34.52 72.22 Favored 'General case' 0 CA--C 1.554 1.11 0 O-C-N 128.911 3.882 . . . . 0.0 107.085 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -50.56 -48.97 57.3 Favored 'General case' 0 CA--C 1.591 2.547 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 166.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -67.51 -30.62 70.35 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-O 113.079 -3.343 . . . . 0.0 112.239 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.5 -64.61 0.81 Allowed 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 121.84 2.109 . . . . 0.0 110.283 155.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -55.49 -40.86 72.25 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -171.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -64.48 -46.12 84.41 Favored 'General case' 0 C--N 1.376 1.718 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.72 -44.71 93.62 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-O 117.156 -1.402 . . . . 0.0 113.697 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.25 -46.31 90.9 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 121.671 2.032 . . . . 0.0 111.88 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.94 -37.83 88.94 Favored 'General case' 0 CA--C 1.575 1.906 1 O-C-N 116.127 -4.108 . . . . 0.0 111.006 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -67.55 -36.53 81.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 118.665 -2.522 . . . . 0.0 111.622 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -32.97 72.98 Favored 'General case' 1 N--CA 1.554 4.759 0 CA-C-O 117.042 -1.456 . . . . 0.0 113.947 175.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.71 -12.48 59.46 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 130.809 3.644 . . . . 0.0 110.783 174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.22 69.93 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 130.385 3.85 . . . . 0.0 113.835 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.46 164.05 13.37 Favored 'General case' 0 CA--C 1.573 1.831 0 CA-C-N 122.721 3.26 . . . . 0.0 112.263 -164.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.5 t -83.34 129.25 34.99 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 125.291 2.472 . . . . 0.0 106.33 168.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . 0.375 3.2 ttp -61.61 -18.02 57.64 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 116.986 -3.571 . . . . 0.0 111.435 -173.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -50.87 -39.34 53.62 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-O 115.613 -2.137 . . . . 0.0 116.433 157.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . 0.259 52.5 tt0 -78.52 -12.87 60.04 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 124.336 2.017 . . . . 0.0 112.425 -166.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.31 167.97 23.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 O-C-N 117.621 -3.175 . . . . 0.0 111.75 -171.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 mmt-85 -139.4 145.69 39.23 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 131.027 3.731 . . . . 0.0 107.504 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.541 ' CD2' HG22 ' B' ' 86' ' ' VAL . 51.9 m-85 -112.17 158.9 19.1 Favored 'General case' 0 C--O 1.267 1.997 0 CA-C-O 124.669 2.176 . . . . 0.0 110.221 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -157.72 149.64 22.12 Favored 'General case' 0 CA--C 1.555 1.152 1 O-C-N 116.164 -4.085 . . . . 0.0 115.271 -169.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' HG2' ' B' ' 78' ' ' MET . 15.9 t80 -151.61 128.69 11.1 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-O 115.372 -2.251 . . . . 0.0 108.534 177.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t0 55.33 30.18 14.34 Favored 'General case' 0 CA--C 1.593 2.623 0 CA-C-N 121.658 2.026 . . . . 0.0 115.924 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.16 4.96 74.84 Favored Glycine 0 CA--C 1.536 1.401 1 C-N-CA 130.813 4.054 . . . . 0.0 112.758 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -100.55 143.7 27.04 Favored Pre-proline 0 C--O 1.234 0.255 0 C-N-CA 128.466 2.706 . . . . 0.0 106.37 -170.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -72.41 136.55 26.51 Favored 'Trans proline' 0 C--N 1.381 2.255 0 N-CA-C 105.241 -2.638 . . . . 0.0 105.241 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mt -78.1 135.42 26.18 Favored 'Isoleucine or valine' 0 C--O 1.256 1.413 0 O-C-N 119.349 -2.095 . . . . 0.0 115.171 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -95.65 145.9 24.9 Favored 'General case' 0 C--O 1.184 -2.346 0 O-C-N 120.235 -1.54 . . . . 0.0 109.427 173.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.35 -10.81 36.12 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.728 2.492 . . . . 0.0 117.728 168.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -68.48 -23.25 64.55 Favored 'General case' 0 CA--C 1.605 3.087 0 CA-C-N 125.193 3.633 . . . . 0.0 106.87 172.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . 0.266 21.0 m-20 -95.77 154.42 17.23 Favored 'General case' 0 C--O 1.19 -2.065 0 O-C-N 119.332 -2.105 . . . . 0.0 115.917 -150.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 69.4 p -125.28 164.72 30.35 Favored Pre-proline 0 N--CA 1.486 1.348 0 CA-C-N 111.906 -2.406 . . . . 0.0 110.985 174.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.49 -31.73 59.84 Favored 'Trans proline' 0 CA--C 1.573 2.446 0 O-C-N 114.471 -3.489 . . . . 0.0 114.908 166.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.78 -37.36 79.27 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 116.825 -3.672 . . . . 0.0 109.911 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -69.99 -33.89 72.64 Favored 'General case' 0 N--CA 1.413 -2.305 0 CA-C-O 116.722 -1.609 . . . . 0.0 111.684 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.64 4.08 43.01 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 124.058 3.117 . . . . 0.0 110.064 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.93 34.08 7.41 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 117.489 -3.257 . . . . 0.0 112.265 169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.506 ' HG2' ' CE2' ' B' ' 62' ' ' PHE . 10.7 mtp -78.8 170.03 17.31 Favored 'General case' 0 CA--C 1.492 -1.265 0 O-C-N 118.633 -2.542 . . . . 0.0 107.248 -176.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -141.68 160.74 39.54 Favored 'General case' 0 C--O 1.252 1.235 0 C-N-CA 126.919 2.088 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.25 149.61 5.3 Favored 'General case' 0 C--O 1.253 1.275 0 CA-C-O 126.994 3.283 . . . . 0.0 115.176 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 46.56 8.65 0.01 OUTLIER 'General case' 0 CA--C 1.607 3.137 0 CA-C-N 109.062 -3.699 . . . . 0.0 114.894 -171.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.4 154.52 4.56 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 112.894 -3.522 . . . . 0.0 112.304 151.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 62.7 m -126.66 124.91 40.93 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.198 -1.564 . . . . 0.0 111.267 -167.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 70.1 mt -80.37 109.78 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.259 0 C-N-CA 126.443 1.897 . . . . 0.0 112.939 170.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -67.18 148.81 51.31 Favored 'General case' 0 C--N 1.28 -2.438 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 165.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' B' ' 60' ' ' PHE . 41.2 t -134.34 140.76 45.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 C-N-CA 128.239 2.615 . . . . 0.0 111.15 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . 0.263 66.9 m-85 -153.52 163.91 39.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.09 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . 0.418 78.0 mm-40 -87.47 163.1 16.89 Favored 'General case' 0 N--CA 1.532 3.653 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -97.45 99.39 10.81 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 129.126 2.97 . . . . 0.0 113.423 162.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -65.11 135.73 55.86 Favored 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 129.105 2.962 . . . . 0.0 114.213 -170.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 21.3 p -84.76 -17.8 37.11 Favored 'General case' 0 N--CA 1.517 2.891 0 C-N-CA 116.737 -1.985 . . . . 0.0 109.591 -163.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 -169.02 54.92 Favored Glycine 0 CA--C 1.488 -1.646 0 CA-C-O 125.971 2.984 . . . . 0.0 115.218 -167.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -86.18 -169.81 46.32 Favored Glycine 1 N--CA 1.521 4.336 1 O-C-N 115.838 -4.33 . . . . 0.0 116.414 -168.223 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 69.2 t -132.99 109.62 14.38 Favored 'Isoleucine or valine' 0 C--O 1.261 1.672 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 CA--C 1.574 1.888 0 C-N-CA 126.756 2.022 . . . . 0.0 112.35 -176.778 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.518 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -70.4 2.64 3.65 Favored 'General case' 0 C--O 1.264 1.865 0 N-CA-C 120.243 3.423 . . . . 0.0 120.243 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.54 1.43 3.72 Favored 'General case' 0 CA--C 1.568 1.636 0 CA-C-O 116.058 -1.925 . . . . 0.0 114.153 168.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . 0.256 . . -64.2 28.61 0.01 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 130.542 3.537 . . . . 0.0 118.043 -176.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -144.45 125.99 14.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 124.991 1.316 . . . . 0.0 113.177 -163.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.17 120.21 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.336 0 O-C-N 118.328 -2.732 . . . . 0.0 109.693 -164.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 t -129.25 116.7 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-N 120.962 1.71 . . . . 0.0 110.343 -156.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' B' ' 34' ' ' ILE . 67.2 mt -142.31 147.72 20.98 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.442 0 C-N-CA 128.582 2.753 . . . . 0.0 116.502 -169.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -58.31 -20.09 40.22 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 119.141 -2.224 . . . . 0.0 113.732 -173.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -65.93 154.79 38.36 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-O 124.087 1.898 . . . . 0.0 115.382 163.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.68 -174.87 55.15 Favored Glycine 0 N--CA 1.409 -3.14 0 O-C-N 117.17 -3.456 . . . . 0.0 117.825 -172.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -127.97 118.1 22.93 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.016 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 CA--C 1.611 3.294 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.04 159.88 10.9 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.896 1.372 . . . . 0.0 113.081 165.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -129.03 149.85 50.68 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 124.522 1.129 . . . . 0.0 110.291 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.291 35.6 tt0 -131.34 131.51 43.78 Favored 'General case' 0 CA--C 1.498 -1.034 0 C-N-CA 127.74 2.416 . . . . 0.0 114.655 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -37.86 133.12 0.87 Allowed Pre-proline 0 N--CA 1.503 2.186 0 CA-C-O 112.563 -3.589 . . . . 0.0 115.689 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -81.55 170.22 14.65 Favored 'Trans proline' 0 N--CA 1.525 3.376 0 CA-C-N 123.592 2.319 . . . . 0.0 113.404 -172.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -57.99 134.54 56.47 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.859 2.864 . . . . 0.0 115.192 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -148.94 157.09 43.16 Favored 'General case' 0 N--CA 1.521 3.08 0 CA-C-O 117.167 -1.397 . . . . 0.0 108.438 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.45 39.6 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 O-C-N 125.658 1.849 . . . . 0.0 115.023 174.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 46.0 t -74.22 91.88 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.384 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.569 166.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -151.33 137.98 18.78 Favored 'General case' 0 CA--C 1.591 2.531 0 C-N-CA 127.626 2.37 . . . . 0.0 116.06 169.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -44.01 -43.26 6.59 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 120.905 -1.122 . . . . 0.0 113.838 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.78 -22.46 64.13 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -82.62 -4.67 58.07 Favored 'General case' 0 CA--C 1.598 2.801 0 N-CA-C 120.679 3.585 . . . . 0.0 120.679 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.11 163.41 3.67 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 122.265 1.031 . . . . 0.0 109.595 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -89.25 156.35 18.81 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -79.0 157.33 28.13 Favored 'General case' 0 C--O 1.269 2.13 0 O-C-N 127.53 3.019 . . . . 0.0 112.251 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . 0.278 7.7 tt -104.46 138.97 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 CA-C-O 115.442 -2.218 . . . . 0.0 115.451 165.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -118.41 108.85 15.55 Favored 'General case' 0 N--CA 1.414 -2.254 0 C-N-CA 128.547 2.739 . . . . 0.0 108.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.5 mt -117.27 139.01 51.36 Favored 'General case' 0 CA--C 1.561 1.386 0 O-C-N 120.932 -1.105 . . . . 0.0 108.922 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -76.51 156.09 33.23 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.667 2.175 . . . . 0.0 109.367 170.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.76 128.92 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 O-C-N 118.537 -2.602 . . . . 0.0 107.686 167.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.28 103.98 3.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 125.767 2.699 . . . . 0.0 109.713 -164.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 166.63 47.38 Favored Glycine 0 CA--C 1.545 1.929 0 O-C-N 118.686 -2.509 . . . . 0.0 117.251 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -79.34 -14.86 58.7 Favored 'General case' 0 CA--C 1.588 2.425 0 C-N-CA 117.421 -1.711 . . . . 0.0 110.027 -174.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -75.05 14.23 0.56 Allowed 'General case' 0 CA--C 1.571 1.751 0 CA-C-N 122.096 2.225 . . . . 0.0 111.841 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.65 17.24 64.49 Favored Glycine 0 N--CA 1.505 3.285 0 O-C-N 117.312 -3.367 . . . . 0.0 113.877 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . 0.281 88.7 p -74.66 140.64 44.39 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 117.747 0.774 . . . . 0.0 112.041 167.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -141.61 141.36 30.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.9 m -141.86 166.76 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 O-C-N 117.383 -3.323 . . . . 0.0 109.802 168.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -104.22 129.65 52.0 Favored 'General case' 0 CA--C 1.601 2.924 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.167 166.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -97.18 150.48 20.83 Favored 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 161.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -126.9 111.86 14.63 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 128.445 2.698 . . . . 0.0 108.647 160.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.438 HD13 HG21 ' B' ' 34' ' ' ILE . 20.4 pt -133.63 -171.94 0.82 Allowed 'Isoleucine or valine' 1 N--CA 1.542 4.154 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.986 -179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -102.74 158.12 16.48 Favored 'General case' 0 N--CA 1.529 3.513 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -61.54 -31.57 71.6 Favored 'General case' 1 CA--C 1.63 4.022 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -84.01 -3.18 57.83 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-O 123.262 1.506 . . . . 0.0 113.639 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 56.9 m -78.15 134.14 63.81 Favored Pre-proline 0 CA--C 1.56 1.34 0 O-C-N 116.472 -3.892 . . . . 0.0 108.367 -173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -68.98 133.25 26.51 Favored 'Trans proline' 0 C--N 1.381 2.275 0 N-CA-C 116.256 1.598 . . . . 0.0 116.256 176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -70.26 -12.44 61.59 Favored 'General case' 1 N--CA 1.546 4.331 0 O-C-N 121.194 -0.941 . . . . 0.0 109.076 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -63.04 -27.81 69.66 Favored 'General case' 0 CA--C 1.57 1.746 0 CA-C-N 120.658 1.572 . . . . 0.0 111.281 171.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -71.65 -43.91 65.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 167.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -43.63 97.44 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 118.955 -2.341 . . . . 0.0 110.965 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 64.8 mtm -73.91 -40.71 62.94 Favored 'General case' 0 CA--C 1.584 2.267 0 CA-C-O 115.751 -2.071 . . . . 0.0 114.739 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.76 -45.34 94.71 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 121.348 1.886 . . . . 0.0 110.149 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.98 -45.99 75.96 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 117.931 -2.981 . . . . 0.0 117.059 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -48.92 -47.2 43.66 Favored 'General case' 0 C--O 1.193 -1.875 0 O-C-N 117.285 -3.385 . . . . 0.0 114.341 165.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.49 -46.4 90.16 Favored 'General case' 0 C--O 1.201 -1.475 0 CA-C-O 115.903 -1.998 . . . . 0.0 113.247 -173.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -26.91 65.35 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 114.578 -2.629 . . . . 0.0 108.435 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt-85 -70.15 -28.35 65.28 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -71.96 -17.51 62.07 Favored 'General case' 0 C--O 1.201 -1.474 0 C-N-CA 127.352 2.261 . . . . 0.0 109.723 166.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.1 11.68 61.62 Favored Glycine 0 C--O 1.199 -2.064 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 -167.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -93.87 179.76 5.24 Favored 'General case' 1 N--CA 1.541 4.116 0 CA-C-O 116.004 -1.95 . . . . 0.0 113.109 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -95.64 143.43 26.92 Favored 'General case' 0 N--CA 1.504 2.245 0 CA-C-O 114.847 -2.501 . . . . 0.0 110.212 165.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 37.4 ttp -65.29 -14.35 60.53 Favored 'General case' 0 N--CA 1.52 3.069 0 CA-C-N 122.315 2.325 . . . . 0.0 116.425 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -70.23 -22.0 62.94 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.134 -0.979 . . . . 0.0 111.58 169.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -68.09 -24.32 65.03 Favored 'General case' 0 C--N 1.363 1.189 0 O-C-N 117.669 -3.145 . . . . 0.0 118.591 170.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.83 172.41 13.28 Favored 'Isoleucine or valine' 0 C--O 1.247 0.972 0 O-C-N 119.75 -1.843 . . . . 0.0 114.916 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 57.4 mmt-85 -136.49 167.68 20.91 Favored 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 124.945 2.307 . . . . 0.0 105.406 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.62 157.0 45.64 Favored 'General case' 0 C--O 1.281 2.724 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.468 172.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -145.44 154.18 41.98 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 127.108 2.163 . . . . 0.0 108.359 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.81 137.15 23.64 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 129.532 3.133 . . . . 0.0 109.828 166.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 47.5 t0 53.65 38.77 29.08 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-N 123.493 2.861 . . . . 0.0 111.431 -172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.38 -1.74 2.79 Favored Glycine 0 C--N 1.274 -2.892 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 -177.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -93.21 141.98 24.72 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 117.893 -3.122 . . . . 0.0 111.064 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -58.45 149.54 74.04 Favored 'Trans proline' 0 C--N 1.399 3.205 0 N-CA-C 109.359 -1.054 . . . . 0.0 109.359 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 99.2 mt -79.31 135.11 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 120.317 -1.49 . . . . 0.0 109.55 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -91.43 142.56 27.54 Favored 'General case' 0 C--O 1.201 -1.449 0 C-N-CA 125.48 1.512 . . . . 0.0 113.244 172.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -76.73 -8.93 58.23 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -172.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.7 p -82.85 -13.55 55.95 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 114.359 -2.734 . . . . 0.0 109.852 170.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -109.51 159.33 17.15 Favored 'General case' 0 N--CA 1.521 3.095 2 CA-C-N 128.728 5.24 . . . . 0.0 114.289 -162.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 75.8 p -116.52 155.16 48.99 Favored Pre-proline 0 CA--C 1.571 1.753 0 C-N-CA 127.855 2.462 . . . . 0.0 107.867 -172.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -48.97 -32.53 23.46 Favored 'Trans proline' 0 N--CA 1.424 -2.57 0 C-N-CA 123.959 3.106 . . . . 0.0 113.747 167.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.74 72.32 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.26 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -62.04 -35.43 78.57 Favored 'General case' 0 C--N 1.415 3.42 0 O-C-N 124.987 1.429 . . . . 0.0 111.218 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.7 mt -87.43 -2.51 58.67 Favored 'General case' 0 C--O 1.194 -1.82 0 O-C-N 126.326 2.266 . . . . 0.0 114.383 -172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . 0.289 1.5 mm-40 69.08 31.12 4.18 Favored 'General case' 0 C--O 1.282 2.809 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.7 mtt -80.84 148.81 29.79 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 119.105 -2.247 . . . . 0.0 107.099 -172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.47 -179.44 3.77 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 110.773 -2.921 . . . . 0.0 114.845 160.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.38 143.84 57.47 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 124.924 1.39 . . . . 0.0 112.675 170.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 63.96 19.57 11.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 125.771 2.7 . . . . 0.0 114.812 174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.0 173.04 5.82 Favored 'General case' 0 CA--C 1.622 3.726 0 O-C-N 117.792 -3.068 . . . . 0.0 111.858 149.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 99.2 m -131.22 131.44 43.95 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 119.143 3.016 . . . . 0.0 119.143 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.98 131.95 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 117.942 -2.974 . . . . 0.0 107.857 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.48 127.37 35.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 123.533 2.879 . . . . 0.0 108.698 173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.49 162.96 2.47 Favored 'Isoleucine or valine' 0 C--N 1.378 1.819 0 CA-C-O 123.858 1.79 . . . . 0.0 109.7 165.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -147.49 145.21 29.05 Favored 'General case' 0 CA--C 1.606 3.133 2 O-C-N 114.821 -4.924 . . . . 0.0 105.392 174.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -96.46 127.48 42.5 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.056 -1.653 . . . . 0.0 110.531 168.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -80.25 132.39 35.84 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 120.165 1.348 . . . . 0.0 112.937 -175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -69.97 152.08 44.86 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 127.414 2.285 . . . . 0.0 111.984 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.9 p -116.96 -43.66 2.86 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 128.468 2.707 . . . . 0.0 106.124 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.04 -161.57 49.63 Favored Glycine 0 N--CA 1.406 -3.36 0 O-C-N 118.881 -2.387 . . . . 0.0 116.813 176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.54 -163.17 26.02 Favored Glycine 0 C--N 1.369 2.384 0 CA-C-O 127.545 3.858 . . . . 0.0 116.782 -166.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.4 t -152.56 114.74 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 110.878 -2.661 . . . . 0.0 107.394 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 CA--C 1.598 2.798 0 CA-C-O 113.116 -3.325 . . . . 0.0 110.532 171.5 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -63.97 -30.84 71.89 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.444 1.897 . . . . 0.0 115.347 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -145.23 22.54 1.52 Allowed 'General case' 0 N--CA 1.525 3.319 0 C-N-CA 125.921 1.689 . . . . 0.0 112.1 -168.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.69 30.62 0.3 Allowed 'General case' 0 CA--C 1.579 2.083 0 CA-C-N 124.125 3.148 . . . . 0.0 117.877 -167.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -132.86 126.63 32.65 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 128.755 2.822 . . . . 0.0 112.601 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.56 131.37 47.75 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.373 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -134.82 113.07 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.089 0 O-C-N 118.045 -2.909 . . . . 0.0 108.316 -167.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.265 64.9 mt -134.02 144.76 34.59 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 O-C-N 117.767 -3.083 . . . . 0.0 114.383 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -108.78 -17.49 13.93 Favored 'General case' 0 CA--C 1.56 1.349 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -166.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -63.07 95.74 0.09 Allowed 'General case' 0 C--O 1.277 2.532 0 C-N-CA 115.264 -2.574 . . . . 0.0 114.116 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.05 154.13 27.53 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 106.874 -2.49 . . . . 0.0 106.874 163.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . 0.311 3.7 tp10 -68.01 -37.05 80.97 Favored 'General case' 0 CA--C 1.44 -3.272 0 O-C-N 118.282 -2.893 . . . . 0.0 109.767 170.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.611 0 O-C-N 120.12 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.529 3.483 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.44 148.53 37.14 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 120.594 1.543 . . . . 0.0 114.523 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -141.2 161.73 37.18 Favored 'General case' 0 C--O 1.257 1.472 0 C-N-CA 127.894 2.478 . . . . 0.0 107.089 172.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -102.73 154.51 19.09 Favored 'General case' 0 N--CA 1.511 2.589 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -72.29 119.68 76.16 Favored Pre-proline 0 C--N 1.381 1.978 0 C-N-CA 126.954 2.102 . . . . 0.0 112.9 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 142.12 35.16 Favored 'Trans proline' 0 C--N 1.372 1.8 0 CA-C-N 121.163 1.451 . . . . 0.0 113.49 -171.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -77.07 140.36 40.28 Favored 'General case' 0 C--O 1.27 2.145 0 O-C-N 127.475 2.985 . . . . 0.0 115.213 -167.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -145.32 2.94 1.0 Allowed 'General case' 0 C--O 1.191 -1.988 0 O-C-N 126.319 2.262 . . . . 0.0 109.659 -155.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.53 53.06 0.05 OUTLIER Glycine 0 CA--C 1.546 1.98 0 N-CA-C 120.269 2.867 . . . . 0.0 120.269 -171.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 99.89 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.527 3.395 0 O-C-N 118.583 -2.716 . . . . 0.0 104.739 155.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.533 ' HG2' ' H ' ' B' ' 13' ' ' GLU . 78.0 tttt -161.69 143.8 11.63 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 120.209 1.368 . . . . 0.0 109.976 -169.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.9 p -73.31 -15.98 61.38 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 123.883 1.801 . . . . 0.0 111.334 -174.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.533 ' H ' ' HG2' ' B' ' 11' ' ' LYS . 64.8 mm-40 -73.54 -24.43 60.12 Favored 'General case' 1 CA--C 1.632 4.133 1 O-C-N 116.111 -4.118 . . . . 0.0 109.695 175.889 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -80.73 2.17 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 120.575 3.546 . . . . 0.0 120.575 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -73.96 146.35 43.97 Favored 'General case' 0 C--O 1.276 2.458 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.375 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . 0.284 33.1 m-20 -94.46 157.39 16.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.658 -1.217 . . . . 0.0 112.22 -171.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.624 ' CG ' ' HE2' ' B' ' 33' ' ' LYS . 33.7 m80 -76.76 173.97 11.03 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 129.765 3.226 . . . . 0.0 111.293 -164.07 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 tt -122.81 121.16 62.66 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.086 0 O-C-N 118.662 -2.524 . . . . 0.0 111.134 160.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' B' ' 32' ' ' PHE . 15.7 m-80 -89.3 87.4 7.11 Favored 'General case' 0 C--N 1.37 1.487 0 O-C-N 125.317 1.636 . . . . 0.0 112.012 177.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' B' ' 34' ' ' ILE . 25.7 mt -72.97 176.95 5.27 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 166.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -126.3 146.51 49.99 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 128.155 2.582 . . . . 0.0 109.904 167.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 t -116.84 139.62 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 CA-C-O 125.904 2.764 . . . . 0.0 107.516 165.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -147.01 156.03 42.71 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 171.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.49 155.74 19.83 Favored Glycine 0 C--O 1.202 -1.885 0 C-N-CA 126.103 1.811 . . . . 0.0 115.131 167.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -58.41 -28.52 65.3 Favored 'General case' 0 N--CA 1.532 3.657 0 CA-C-N 113.585 -1.307 . . . . 0.0 108.629 -172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -68.66 -6.2 24.65 Favored 'General case' 0 CA--C 1.61 3.272 0 C-N-CA 127.645 2.378 . . . . 0.0 111.414 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.89 59.44 Favored Glycine 0 C--N 1.287 -2.16 0 C-N-CA 127.599 2.523 . . . . 0.0 117.47 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.1 p -98.81 149.51 22.81 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 119.79 -2.006 . . . . 0.0 108.544 169.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -138.83 160.5 30.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.305 0 C-N-CA 129.321 3.049 . . . . 0.0 108.092 -171.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.05 147.81 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 119.962 -1.711 . . . . 0.0 110.669 151.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -77.13 137.24 38.78 Favored 'General case' 0 C--N 1.371 1.528 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 156.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 19' ' ' ASN . 14.7 m-85 -109.36 129.45 55.53 Favored 'General case' 0 C--O 1.243 0.758 0 O-C-N 117.989 -2.945 . . . . 0.0 110.599 166.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.624 ' HE2' ' CG ' ' B' ' 17' ' ' HIS . 78.6 tttt -104.99 72.82 1.02 Allowed 'General case' 0 CA--C 1.568 1.638 0 C-N-CA 127.455 2.302 . . . . 0.0 109.729 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' B' ' 20' ' ' LEU . 41.4 pt -85.83 -161.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 C-N-CA 128.302 2.641 . . . . 0.0 114.419 173.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . 0.278 80.8 mttt -134.33 155.02 50.97 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 124.419 2.057 . . . . 0.0 108.643 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -66.71 -28.61 68.57 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 116.452 -3.905 . . . . 0.0 109.446 -162.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -4.09 56.02 Favored 'General case' 0 CA--C 1.573 1.836 0 C-N-CA 127.568 2.347 . . . . 0.0 113.773 173.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.6 m -64.4 136.86 96.93 Favored Pre-proline 1 N--CA 1.562 5.172 0 O-C-N 118.744 -2.473 . . . . 0.0 115.021 172.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -65.45 136.17 45.62 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 O-C-N 125.985 2.571 . . . . 0.0 111.806 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.449 HD13 HG21 ' B' ' 67' ' ' ILE . 20.3 mt -71.84 -15.35 62.13 Favored 'General case' 0 C--O 1.17 -3.107 0 O-C-N 125.431 1.707 . . . . 0.0 113.767 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 56.5 p -52.88 -57.17 11.15 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 123.047 1.403 . . . . 0.0 109.321 169.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -61.84 -33.05 73.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.334 -1.793 . . . . 0.0 111.984 -173.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.82 -54.05 51.5 Favored 'General case' 0 C--O 1.28 2.705 0 O-C-N 125.622 1.826 . . . . 0.0 115.85 157.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.99 -26.7 67.67 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 125.872 2.749 . . . . 0.0 113.043 -169.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -80.95 -39.46 26.06 Favored 'General case' 0 N--CA 1.532 3.656 1 O-C-N 114.636 -5.04 . . . . 0.0 115.32 173.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 -31.18 70.92 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -81.68 -30.93 32.45 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 122.256 2.298 . . . . 0.0 116.52 169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -67.87 -42.16 81.72 Favored 'General case' 0 C--N 1.37 1.497 0 CA-C-O 114.062 -2.875 . . . . 0.0 112.425 174.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.48 -42.33 99.42 Favored 'General case' 0 CA--C 1.606 3.11 0 N-CA-C 117.341 2.349 . . . . 0.0 117.341 166.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -50.87 -52.61 40.04 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 127.294 2.871 . . . . 0.0 114.4 169.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.66 -4.72 9.45 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 116.526 2.047 . . . . 0.0 116.526 163.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.29 75.39 Favored Glycine 0 N--CA 1.502 3.053 0 O-C-N 116.588 -3.82 . . . . 0.0 116.485 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 66.8 mt -102.19 174.53 5.88 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 117.765 -3.197 . . . . 0.0 116.634 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -93.62 149.93 20.83 Favored 'General case' 0 CA--C 1.597 2.77 0 O-C-N 125.819 1.95 . . . . 0.0 110.756 153.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 7.1 ttt -63.15 -28.39 70.02 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.099 1.904 . . . . 0.0 110.606 -174.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . 0.308 7.0 ttt85 -51.68 -35.42 42.46 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 117.425 -3.297 . . . . 0.0 114.113 174.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -76.89 -16.96 59.24 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 pt -128.03 165.98 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-O 115.286 -2.292 . . . . 0.0 114.729 -165.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -142.13 142.92 32.79 Favored 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 129.445 3.098 . . . . 0.0 109.104 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.6 137.92 43.73 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 124.607 1.163 . . . . 0.0 110.63 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -122.94 148.02 45.95 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 117.45 -3.281 . . . . 0.0 115.353 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -138.34 135.11 35.05 Favored 'General case' 0 N--CA 1.52 3.053 0 C-N-CA 125.506 1.522 . . . . 0.0 113.5 166.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 49.16 37.26 10.56 Favored 'General case' 0 C--O 1.266 1.942 0 O-C-N 125.411 1.694 . . . . 0.0 114.552 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.52 -1.65 5.22 Favored Glycine 0 C--O 1.25 1.142 0 N-CA-C 120.989 3.156 . . . . 0.0 120.989 -162.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . 0.282 37.5 mm-40 -100.91 126.26 35.73 Favored Pre-proline 0 C--O 1.19 -2.027 0 CA-C-N 122.82 3.31 . . . . 0.0 112.188 -172.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.83 126.32 18.64 Favored 'Trans proline' 0 CA--C 1.462 -3.122 0 CA-C-N 123.497 2.285 . . . . 0.0 107.869 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.449 HG21 HD13 ' B' ' 40' ' ' LEU . 8.2 mt -67.25 127.59 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 126.998 2.119 . . . . 0.0 108.772 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -88.16 145.76 25.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.951 1.3 . . . . 0.0 110.211 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.11 10.32 0.44 Allowed 'General case' 0 C--N 1.395 2.549 1 C-N-CA 132.578 4.351 . . . . 0.0 113.105 177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 15.9 p -94.53 -8.19 39.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.418 1.487 . . . . 0.0 111.994 170.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.17 151.62 37.24 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 118.163 -2.836 . . . . 0.0 106.117 -155.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 77.3 p -127.1 169.74 11.51 Favored Pre-proline 0 C--O 1.267 2.008 0 N-CA-C 104.524 -2.398 . . . . 0.0 104.524 -176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -62.61 -27.6 76.43 Favored 'Trans proline' 0 C--N 1.397 3.11 0 C-N-CA 122.199 1.933 . . . . 0.0 116.496 177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.68 91.82 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 170.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -68.01 -34.67 76.95 Favored 'General case' 0 C--O 1.273 2.315 0 CA-C-N 121.364 1.893 . . . . 0.0 115.16 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.29 7.28 29.34 Favored 'General case' 0 C--O 1.27 2.174 0 O-C-N 124.381 1.051 . . . . 0.0 110.219 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 43.45 52.83 5.88 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -84.37 172.38 11.82 Favored 'General case' 0 N--CA 1.521 3.078 0 C-N-CA 129.183 2.993 . . . . 0.0 111.752 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -149.75 179.43 8.02 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.554 2.342 . . . . 0.0 107.888 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.36 143.0 47.03 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 122.171 0.986 . . . . 0.0 110.632 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.406 28.6 mt-10 62.17 30.21 17.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 118.625 -2.547 . . . . 0.0 116.277 -170.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -78.92 133.04 36.94 Favored 'General case' 0 CA--C 1.58 2.124 0 O-C-N 117.401 -3.312 . . . . 0.0 106.629 153.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 23.2 m -111.52 134.45 53.09 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 126.514 1.926 . . . . 0.0 114.796 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.68 115.3 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 1 C-N-CA 132.082 4.153 . . . . 0.0 105.177 175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.84 131.58 34.49 Favored 'General case' 0 N--CA 1.397 -3.108 0 C-N-CA 127.771 2.429 . . . . 0.0 113.49 173.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.56 137.47 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 O-C-N 118.782 -2.449 . . . . 0.0 112.435 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -119.96 148.58 43.35 Favored 'General case' 0 CA--C 1.502 -0.904 0 CA-C-O 114.695 -2.574 . . . . 0.0 113.406 -175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -77.57 135.99 38.23 Favored 'General case' 0 C--N 1.371 1.534 0 O-C-N 126.612 2.445 . . . . 0.0 106.875 168.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -71.37 122.85 21.07 Favored 'General case' 0 C--N 1.287 -2.144 0 O-C-N 119.347 -2.096 . . . . 0.0 112.95 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -61.74 159.63 13.22 Favored 'General case' 0 C--O 1.194 -1.835 0 C-N-CA 126.567 1.947 . . . . 0.0 107.794 -170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 69.8 p -100.66 -40.94 7.13 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 117.036 -3.54 . . . . 0.0 112.209 170.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.74 -138.79 49.05 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-O 115.7 -2.722 . . . . 0.0 117.702 -164.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.39 173.58 44.3 Favored Glycine 0 C--O 1.191 -2.539 0 CA-C-N 121.777 2.789 . . . . 0.0 118.666 -165.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 21.1 t -124.39 149.28 28.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.381 0 C-N-CA 127.923 2.489 . . . . 0.0 111.179 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.515 2.818 0 C-N-CA 128.265 2.626 . . . . 0.0 115.039 -151.003 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.65 -28.91 68.93 Favored 'General case' 0 N--CA 1.526 3.325 0 CA-C-O 125.891 2.758 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -143.27 19.67 1.91 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.604 -174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' B' ' 30' ' ' VAL . . . -69.31 48.01 0.07 Allowed 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 117.489 2.403 . . . . 0.0 117.489 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -151.02 131.85 14.12 Favored 'General case' 0 C--O 1.205 -1.276 1 O-C-N 116.182 -4.074 . . . . 0.0 115.019 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -147.66 137.46 16.59 Favored 'Isoleucine or valine' 0 C--O 1.282 2.772 0 C-N-CA 130.978 3.711 . . . . 0.0 107.008 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -139.41 105.35 2.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.096 0 O-C-N 125.886 1.991 . . . . 0.0 108.194 -166.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.16 140.41 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.843 0 C-N-CA 128.726 2.811 . . . . 0.0 106.99 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -109.92 -32.83 6.9 Favored 'General case' 0 CA--C 1.593 2.616 0 CA-C-N 121.277 1.853 . . . . 0.0 113.001 -167.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -102.4 98.07 8.23 Favored 'General case' 0 C--O 1.197 -1.689 0 C-N-CA 128.921 2.888 . . . . 0.0 112.363 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.29 -168.18 34.7 Favored Glycine 0 C--O 1.199 -2.075 0 O-C-N 127.65 3.094 . . . . 0.0 111.086 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -122.6 -52.37 1.92 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.8 2.04 . . . . 0.0 107.367 -176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.249 0 O-C-N 122.04 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 CA--C 1.491 -1.289 0 CA-C-O 124.389 2.042 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.05 158.48 19.82 Favored 'General case' 0 N--CA 1.517 2.919 0 O-C-N 118.193 -2.817 . . . . 0.0 115.543 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.92 146.26 46.82 Favored 'General case' 0 CA--C 1.592 2.583 0 CA-C-N 111.562 -2.563 . . . . 0.0 109.511 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -68.74 128.28 36.09 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 121.496 1.953 . . . . 0.0 110.663 -172.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -80.99 114.54 49.46 Favored Pre-proline 0 C--O 1.212 -0.891 0 CA-C-O 112.813 -3.47 . . . . 0.0 111.711 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -66.51 142.21 64.2 Favored 'Trans proline' 0 CA--C 1.489 -1.735 0 C-N-CA 125.05 3.833 . . . . 0.0 113.71 -172.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -82.97 88.58 6.84 Favored 'General case' 0 C--O 1.206 -1.227 0 C-N-CA 126.333 1.853 . . . . 0.0 111.965 169.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -159.2 -16.07 0.06 Allowed 'General case' 0 CA--C 1.451 -2.858 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.78 117.38 5.13 Favored Glycine 0 N--CA 1.5 2.946 0 N-CA-C 103.757 -3.737 . . . . 0.0 103.757 -174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.95 122.7 30.54 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 CA-C-N 113.002 -1.599 . . . . 0.0 108.977 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -134.68 145.71 48.79 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -69.21 -18.98 63.96 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 124.03 1.871 . . . . 0.0 114.612 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.09 -20.04 56.22 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 116.675 -1.631 . . . . 0.0 113.284 164.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -88.72 -0.2 57.08 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 116.422 -1.751 . . . . 0.0 110.789 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . 0.301 0.8 OUTLIER -81.49 142.04 33.27 Favored 'General case' 0 C--O 1.196 -1.718 0 CA-C-N 122.813 2.551 . . . . 0.0 111.651 -176.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -71.14 142.21 50.73 Favored 'General case' 0 C--N 1.378 1.822 0 CA-C-O 126.131 2.872 . . . . 0.0 109.754 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -62.86 159.79 15.95 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 161.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 tt -109.17 133.84 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.602 2.972 0 C-N-CA 127.79 2.436 . . . . 0.0 110.649 164.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -110.43 105.81 14.92 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.56 -1.655 . . . . 0.0 114.305 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -97.89 152.41 19.24 Favored 'General case' 0 CA--C 1.486 -1.499 0 O-C-N 127.105 2.753 . . . . 0.0 110.885 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -98.12 155.27 17.22 Favored 'General case' 0 N--CA 1.505 2.294 0 N-CA-C 118.458 2.762 . . . . 0.0 118.458 157.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -144.5 130.72 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 110.03 6.35 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 126.401 3.0 . . . . 0.0 113.972 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.53 155.78 40.14 Favored Glycine 0 CA--C 1.571 3.574 0 CA-C-N 111.026 -2.806 . . . . 0.0 110.94 168.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.54 -18.19 62.93 Favored 'General case' 0 CA--C 1.594 2.673 0 O-C-N 118.847 -2.561 . . . . 0.0 111.751 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -81.57 9.87 6.87 Favored 'General case' 0 C--O 1.263 1.776 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.409 ' O ' HG23 ' B' ' 29' ' ' VAL . . . 73.82 7.5 75.36 Favored Glycine 0 CA--C 1.493 -1.285 0 O-C-N 119.628 -1.92 . . . . 0.0 114.66 -171.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.2 p -71.11 128.71 36.85 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 119.009 1.404 . . . . 0.0 113.343 162.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 27' ' ' GLY . 90.6 t -142.38 119.83 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -162.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 39' ' ' ALA . 6.4 m -105.49 159.47 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 1 O-C-N 116.267 -4.021 . . . . 0.0 111.076 171.339 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -98.97 147.27 25.16 Favored 'General case' 0 CA--C 1.595 2.703 1 O-C-N 115.941 -4.225 . . . . 0.0 107.135 173.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.92 123.18 39.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.173 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -107.98 102.91 12.05 Favored 'General case' 0 C--O 1.202 -1.44 0 C-N-CA 126.985 2.114 . . . . 0.0 106.04 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -133.69 172.64 15.98 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.702 0 C-N-CA 125.507 1.523 . . . . 0.0 113.559 -169.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -88.62 149.73 23.39 Favored 'General case' 0 N--CA 1.417 -2.096 1 O-C-N 115.183 -4.698 . . . . 0.0 104.924 172.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -64.41 -14.89 59.17 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 117.444 2.387 . . . . 0.0 117.444 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -107.12 5.67 28.11 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 20.7 m -63.37 148.9 92.73 Favored Pre-proline 0 C--N 1.375 1.691 0 O-C-N 117.64 -3.163 . . . . 0.0 107.995 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -74.5 139.0 25.13 Favored 'Trans proline' 0 C--N 1.378 2.13 0 N-CA-C 116.035 1.514 . . . . 0.0 116.035 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 44' ' ' MET . 15.6 mt -67.45 -32.52 73.42 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.1 p -41.06 -50.62 3.39 Favored 'General case' 0 C--O 1.176 -2.783 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 162.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . 0.257 93.5 mttt -67.07 -35.81 80.63 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.303 1.841 . . . . 0.0 107.735 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 tt -70.93 -50.05 39.0 Favored 'General case' 0 C--O 1.187 -2.233 0 O-C-N 126.651 2.469 . . . . 0.0 112.996 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' B' ' 40' ' ' LEU . 37.3 mtm -47.28 -58.99 3.49 Favored 'General case' 0 C--O 1.271 2.222 0 C-N-CA 128.416 2.686 . . . . 0.0 111.182 163.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -57.77 -43.93 85.86 Favored 'General case' 0 C--O 1.253 1.261 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.7 54.95 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 172.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -49.77 -48.22 50.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 126.134 2.146 . . . . 0.0 114.591 167.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -62.81 -49.88 73.2 Favored 'General case' 0 C--N 1.364 1.201 0 O-C-N 118.646 -2.534 . . . . 0.0 106.597 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -48.99 -50.56 35.23 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 118.303 -2.748 . . . . 0.0 109.808 174.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 46.6 mtt-85 -57.63 -42.51 83.52 Favored 'General case' 0 N--CA 1.524 3.228 0 C-N-CA 126.238 1.815 . . . . 0.0 114.87 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -72.77 -13.19 61.26 Favored 'General case' 0 CA--C 1.603 2.985 0 CA-C-O 113.776 -3.011 . . . . 0.0 113.461 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.49 30.45 30.14 Favored Glycine 0 C--O 1.191 -2.578 0 C-N-CA 127.283 2.373 . . . . 0.0 116.115 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.74 178.4 4.6 Favored 'General case' 0 CA--C 1.61 3.279 0 CA-C-O 122.009 0.909 . . . . 0.0 111.306 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 38.5 t -89.61 144.49 25.96 Favored 'General case' 0 C--O 1.264 1.837 0 CA-C-O 126.886 3.232 . . . . 0.0 110.78 154.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 30.3 ttp -59.91 -29.73 68.57 Favored 'General case' 0 N--CA 1.511 2.589 1 O-C-N 115.389 -4.569 . . . . 0.0 111.938 -176.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -74.0 -14.46 61.02 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 113.196 -3.287 . . . . 0.0 113.553 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -78.19 -19.61 53.55 Favored 'General case' 1 N--CA 1.546 4.361 0 CA-C-N 122.139 2.245 . . . . 0.0 113.49 167.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 21.8 pt -110.06 161.65 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 CA-C-O 126.024 2.821 . . . . 0.0 112.465 174.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -126.4 161.95 26.69 Favored 'General case' 0 N--CA 1.503 2.184 1 O-C-N 115.324 -4.61 . . . . 0.0 113.503 165.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 86' ' ' VAL . 84.9 m-85 -137.4 141.52 41.7 Favored 'General case' 0 C--O 1.292 3.314 0 CA-C-O 115.323 -2.275 . . . . 0.0 109.218 -172.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -138.13 155.16 49.01 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.103 2.561 . . . . 0.0 112.301 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -150.32 157.78 43.44 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 111.271 -2.695 . . . . 0.0 111.871 162.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' B' ' 65' ' ' GLN 0.323 36.1 t0 41.17 39.73 0.98 Allowed 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 123.385 2.812 . . . . 0.0 116.637 -166.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.91 -16.7 0.28 Allowed Glycine 2 N--CA 1.523 4.482 0 O-C-N 120.622 -1.299 . . . . 0.0 115.712 -176.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' B' ' 63' ' ' ASP . 2.5 mm100 -78.78 141.22 59.36 Favored Pre-proline 0 CA--C 1.491 -1.289 0 C-N-CA 127.133 2.173 . . . . 0.0 113.14 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.85 143.0 95.36 Favored 'Trans proline' 1 CA--C 1.616 4.607 1 C-N-CA 126.797 4.998 . . . . 0.0 116.07 158.908 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.15 128.21 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.399 0 O-C-N 119.121 -2.237 . . . . 0.0 115.663 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' B' ' 70' ' ' THR . 4.7 m-80 -80.5 147.88 30.68 Favored 'General case' 0 C--O 1.276 2.49 0 CA-C-O 125.312 2.482 . . . . 0.0 108.761 171.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.323 57.0 mt-10 -61.57 10.61 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.488 0 C-N-CA 128.102 2.561 . . . . 0.0 114.161 170.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.42 ' H ' ' C ' ' B' ' 68' ' ' ASN . 35.0 p -114.39 -4.84 12.91 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 119.443 3.127 . . . . 0.0 119.443 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.82 166.21 11.59 Favored 'General case' 0 CA--C 1.599 2.853 0 C-N-CA 117.247 -1.781 . . . . 0.0 111.332 -164.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 21.7 p -131.32 168.95 15.12 Favored Pre-proline 0 N--CA 1.419 -2.017 0 C-N-CA 129.1 2.96 . . . . 0.0 106.198 -170.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.4 -44.56 8.65 Favored 'Trans proline' 0 C--N 1.391 2.797 0 N-CA-C 117.202 1.962 . . . . 0.0 117.202 176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -30.91 55.53 Favored 'General case' 0 N--CA 1.413 -2.313 0 N-CA-C 118.864 2.913 . . . . 0.0 118.864 163.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . 0.357 60.7 tp60 -75.4 -24.78 57.21 Favored 'General case' 0 C--O 1.271 2.235 0 O-C-N 118.434 -2.666 . . . . 0.0 114.212 173.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.499 ' HB2' ' HG3' ' B' ' 78' ' ' MET . 24.7 mt -103.13 24.99 10.01 Favored 'General case' 0 CA--C 1.496 -1.13 0 CA-C-N 122.81 2.55 . . . . 0.0 116.417 168.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 47.22 37.86 6.18 Favored 'General case' 0 C--O 1.284 2.878 0 C-N-CA 129.798 3.239 . . . . 0.0 112.417 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' B' ' 76' ' ' LEU . 81.4 mtp -73.96 148.75 41.85 Favored 'General case' 0 N--CA 1.518 2.959 0 O-C-N 118.846 -2.409 . . . . 0.0 112.126 -170.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -123.29 162.46 22.63 Favored 'General case' 0 C--O 1.275 2.4 0 C-N-CA 130.384 3.474 . . . . 0.0 105.122 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.81 149.87 49.47 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.153 -1.592 . . . . 0.0 111.076 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.327 40.9 mt-10 58.92 12.18 2.22 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 120.072 3.36 . . . . 0.0 120.072 -170.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -64.9 145.32 56.45 Favored 'General case' 0 CA--C 1.476 -1.877 0 O-C-N 125.357 1.661 . . . . 0.0 109.602 153.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 m -117.83 114.42 23.23 Favored 'General case' 0 C--N 1.376 1.761 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 mt -66.24 117.99 8.33 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 121.007 1.73 . . . . 0.0 114.827 161.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.05 135.59 34.79 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 125.161 1.384 . . . . 0.0 112.063 175.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' B' ' 60' ' ' PHE . 8.9 t -112.87 139.13 39.51 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.43 0 C-N-CA 126.97 2.108 . . . . 0.0 111.912 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.16 156.34 44.74 Favored 'General case' 0 C--N 1.375 1.708 0 C-N-CA 128.199 2.6 . . . . 0.0 106.444 -174.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -98.19 146.79 25.25 Favored 'General case' 1 C--O 1.319 4.743 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 165.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -74.48 150.5 39.85 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 171.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -53.68 157.57 2.21 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 122.973 1.368 . . . . 0.0 112.281 176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 82.0 p -123.28 20.49 9.72 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 124.759 2.219 . . . . 0.0 113.291 -167.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.06 -160.54 48.48 Favored Glycine 0 CA--C 1.557 2.697 0 CA-C-N 114.064 -1.425 . . . . 0.0 112.041 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.83 -146.02 4.42 Favored Glycine 0 C--N 1.391 3.611 0 O-C-N 120.355 -1.674 . . . . 0.0 109.188 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.57 125.31 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.114 0 C-N-CA 128.615 2.766 . . . . 0.0 112.118 -168.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.26 1.618 0 C-N-CA 128.599 2.76 . . . . 0.0 111.452 -170.258 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -57.29 -35.58 69.98 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 126.745 2.018 . . . . 0.0 115.41 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -115.59 11.85 15.95 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 127.184 2.194 . . . . 0.0 114.3 171.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.27 24.55 0.66 Allowed 'General case' 0 N--CA 1.511 2.58 0 O-C-N 119.596 -1.94 . . . . 0.0 113.713 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.61 141.83 21.44 Favored 'General case' 0 N--CA 1.411 -2.403 0 C-N-CA 128.559 2.744 . . . . 0.0 113.258 -169.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mp -142.13 157.28 19.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 126.484 1.914 . . . . 0.0 108.771 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HB3' ' B' ' 33' ' ' LYS . 2.4 t -154.25 121.28 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.623 3.784 0 CA-C-N 121.96 2.164 . . . . 0.0 108.378 -171.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mt -135.97 151.82 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -165.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -125.18 -5.2 7.31 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 -173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -64.72 127.34 31.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 128.142 3.401 . . . . 0.0 108.95 151.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.48 -162.76 45.88 Favored Glycine 0 CA--C 1.549 2.168 0 O-C-N 119.956 -1.715 . . . . 0.0 111.292 -175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -119.82 7.06 10.92 Favored 'General case' 0 C--O 1.263 1.796 0 O-C-N 119.423 -2.222 . . . . 0.0 107.902 164.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.638 0 O-C-N 119.533 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.9 tpp . . . . . 0 N--CA 1.501 2.122 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 154.51 24.58 Favored 'General case' 1 CA--C 1.639 4.386 0 CA-C-O 115.517 -2.182 . . . . 0.0 111.053 175.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . 0.273 23.0 t70 -125.34 130.41 51.9 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 129.298 3.039 . . . . 0.0 116.224 173.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -55.27 117.91 3.93 Favored 'General case' 0 CA--C 1.581 2.15 0 CA-C-N 120.808 1.64 . . . . 0.0 115.33 171.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -105.11 114.98 63.03 Favored Pre-proline 0 C--N 1.378 1.835 0 CA-C-O 114.593 -2.622 . . . . 0.0 108.277 -170.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -71.47 147.99 53.29 Favored 'Trans proline' 0 C--N 1.32 -0.961 0 CA-C-N 123.287 2.21 . . . . 0.0 114.775 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.86 94.32 4.52 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.598 3.559 . . . . 0.0 107.421 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.5 8.85 0.71 Allowed 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -170.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.86 132.61 6.1 Favored Glycine 0 CA--C 1.559 2.806 0 C-N-CA 129.394 3.378 . . . . 0.0 114.049 171.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -94.63 138.01 21.77 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 120.561 3.541 . . . . 0.0 120.561 -171.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.02 138.15 31.64 Favored 'General case' 0 C--O 1.201 -1.498 0 O-C-N 119.653 -1.904 . . . . 0.0 108.733 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.0 p -64.29 -7.82 10.74 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -62.74 -49.68 74.05 Favored 'General case' 0 CA--C 1.508 -0.641 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 168.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -73.8 -7.85 53.76 Favored 'General case' 0 C--O 1.172 -2.998 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -155.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.46 149.63 49.06 Favored 'General case' 0 C--O 1.215 -0.73 0 N-CA-C 121.523 3.897 . . . . 0.0 121.523 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.65 155.23 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.036 -1.665 . . . . 0.0 110.988 -173.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -74.49 164.99 25.94 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.581 -1.949 . . . . 0.0 112.883 156.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -128.09 126.7 66.72 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 CA-C-O 123.965 1.84 . . . . 0.0 108.968 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -85.19 134.08 34.17 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.091 -1.413 . . . . 0.0 113.361 169.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.66 167.82 10.74 Favored 'General case' 0 N--CA 1.398 -3.05 0 C-N-CA 127.376 2.271 . . . . 0.0 112.736 163.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -127.15 149.1 50.11 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 115.116 -2.373 . . . . 0.0 108.832 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -116.47 119.92 63.41 Favored 'Isoleucine or valine' 0 C--O 1.264 1.854 0 CA-C-N 124.073 3.124 . . . . 0.0 106.842 168.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.61 173.27 7.42 Favored 'General case' 0 C--O 1.302 3.859 0 O-C-N 124.413 1.071 . . . . 0.0 110.112 170.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.25 172.99 25.14 Favored Glycine 1 CA--C 1.581 4.195 0 CA-C-N 112.241 -2.254 . . . . 0.0 116.56 -172.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -80.21 -34.0 37.69 Favored 'General case' 0 CA--C 1.483 -1.621 0 O-C-N 118.114 -2.992 . . . . 0.0 107.728 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -75.72 -6.81 52.35 Favored 'General case' 1 N--CA 1.565 5.279 0 CA-C-O 128.46 3.981 . . . . 0.0 110.059 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.45 0.83 62.65 Favored Glycine 0 N--CA 1.498 2.806 1 O-C-N 115.81 -4.306 . . . . 0.0 112.223 168.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -79.19 150.03 31.78 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 118.715 2.858 . . . . 0.0 118.715 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.286 48.3 t -134.94 135.01 53.34 Favored 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 125.097 2.379 . . . . 0.0 107.753 -172.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.73 145.23 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.385 0 CA-C-N 112.612 -2.086 . . . . 0.0 115.059 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -106.1 142.02 36.5 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 127.237 2.215 . . . . 0.0 111.312 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.77 125.08 44.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.594 1.958 . . . . 0.0 107.955 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HB3' HG13 ' A' ' 42' ' ' VAL . 74.4 tttt -96.0 118.94 33.61 Favored 'General case' 0 N--CA 1.514 2.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.244 161.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -134.4 173.96 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 127.141 2.775 . . . . 0.0 108.684 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -95.89 148.35 22.71 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 118.609 -2.557 . . . . 0.0 116.091 167.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtp85 -64.51 -17.89 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 114.426 -2.702 . . . . 0.0 113.571 -167.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -104.24 3.3 32.59 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 128.896 2.878 . . . . 0.0 111.973 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 91.3 m -65.98 140.13 96.98 Favored Pre-proline 0 C--O 1.205 -1.271 0 O-C-N 120.189 -1.569 . . . . 0.0 109.419 174.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -68.41 121.86 8.83 Favored 'Trans proline' 0 CA--C 1.578 2.7 1 C-N-CA 126.249 4.632 . . . . 0.0 108.674 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 26.7 mt -55.28 -25.65 35.34 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 117.281 -3.387 . . . . 0.0 111.953 166.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 91.9 p -60.0 -23.14 63.42 Favored 'General case' 0 N--CA 1.506 2.362 0 CA-C-O 115.596 -2.145 . . . . 0.0 112.136 174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -69.32 -50.81 43.09 Favored 'General case' 0 CA--C 1.474 -1.945 0 CA-C-N 123.731 2.968 . . . . 0.0 114.75 163.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.82 -43.11 99.5 Favored 'General case' 0 N--CA 1.531 3.599 0 O-C-N 126.964 2.665 . . . . 0.0 111.111 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 63.1 mtm -58.94 -42.78 90.61 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 116.428 -2.109 . . . . 0.0 114.145 175.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -67.63 -43.18 80.99 Favored 'General case' 0 N--CA 1.528 3.449 0 CA-C-O 124.897 2.284 . . . . 0.0 111.224 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.38 -54.47 36.3 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 117.91 -2.994 . . . . 0.0 111.411 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.486 ' CE1' HG21 ' B' ' 86' ' ' VAL . 48.2 t80 -58.19 -50.34 73.87 Favored 'General case' 0 CA--C 1.617 3.552 0 O-C-N 125.97 2.044 . . . . 0.0 112.025 173.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 t -51.52 -35.89 42.49 Favored 'General case' 0 C--O 1.211 -0.964 0 O-C-N 124.867 1.354 . . . . 0.0 114.288 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.42 -43.13 61.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.196 1.398 . . . . 0.0 110.228 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 47.9 mtt-85 -57.85 -44.64 86.67 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 128.771 2.829 . . . . 0.0 108.065 174.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -71.76 -16.41 62.2 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 121.36 1.891 . . . . 0.0 112.516 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.22 39.12 45.07 Favored Glycine 1 CA--C 1.6 5.372 1 O-C-N 115.621 -4.424 . . . . 0.0 112.169 177.46 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.15 162.53 25.16 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.395 -173.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.6 t -83.86 136.67 34.03 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 127.123 2.764 . . . . 0.0 108.516 164.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 15.0 ttp -57.66 -20.32 32.79 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 121.146 1.794 . . . . 0.0 114.87 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -54.78 -37.79 66.47 Favored 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 127.429 2.292 . . . . 0.0 114.195 168.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -75.05 -39.74 60.79 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 19.5 pt -100.75 171.44 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 118.205 2.669 . . . . 0.0 118.205 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.92 129.94 26.6 Favored 'General case' 0 C--O 1.205 -1.242 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -176.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -98.05 149.83 22.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 117.013 -3.554 . . . . 0.0 110.376 173.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -152.2 137.36 17.4 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 124.962 1.305 . . . . 0.0 109.269 -154.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -140.95 130.1 23.46 Favored 'General case' 0 C--N 1.269 -2.901 0 C-N-CA 125.567 1.547 . . . . 0.0 109.704 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.2 t0 32.98 59.4 0.44 Allowed 'General case' 0 N--CA 1.387 -3.577 0 C-N-CA 127.543 2.337 . . . . 0.0 115.77 -159.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.65 -18.81 0.98 Allowed Glycine 0 CA--C 1.55 2.265 0 C-N-CA 129.226 3.298 . . . . 0.0 110.775 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -87.95 148.55 43.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-N 122.174 2.987 . . . . 0.0 113.444 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.27 150.98 48.13 Favored 'Trans proline' 0 CA--C 1.558 1.7 0 CA-C-N 121.68 1.636 . . . . 0.0 112.936 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mt -92.7 134.49 30.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 CA-C-O 122.669 1.223 . . . . 0.0 112.992 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -108.03 141.38 39.78 Favored 'General case' 0 C--O 1.174 -2.874 0 O-C-N 120.275 -1.516 . . . . 0.0 110.817 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.75 -14.25 3.19 Favored 'General case' 0 C--N 1.379 1.87 0 O-C-N 128.899 3.874 . . . . 0.0 114.907 -177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.0 p -64.44 -9.0 15.56 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-N 123.652 2.933 . . . . 0.0 116.71 168.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -109.87 165.67 11.53 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 117.51 2.411 . . . . 0.0 117.51 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 31.3 p -135.72 167.66 21.13 Favored Pre-proline 0 C--O 1.286 2.988 0 CA-C-N 112.308 -2.224 . . . . 0.0 110.508 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.35 -31.26 84.37 Favored 'Trans proline' 0 N--CA 1.44 -1.667 0 C-N-CA 123.193 2.595 . . . . 0.0 116.62 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.01 -27.65 48.96 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 113.841 -2.981 . . . . 0.0 114.634 169.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -62.3 -38.57 89.88 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 120.929 1.695 . . . . 0.0 113.507 167.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.13 14.29 32.11 Favored 'General case' 0 N--CA 1.431 -1.384 1 O-C-N 115.288 -4.633 . . . . 0.0 111.258 -177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 47.9 38.22 8.73 Favored 'General case' 0 C--O 1.272 2.249 1 N-CA-C 121.833 4.012 . . . . 0.0 121.833 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 28.6 mtp -66.58 155.41 37.85 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 129.225 3.01 . . . . 0.0 113.772 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -126.21 -168.66 1.89 Allowed 'General case' 1 N--CA 1.542 4.128 0 C-N-CA 127.979 2.512 . . . . 0.0 108.766 -173.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.55 113.1 20.04 Favored 'General case' 0 C--O 1.19 -2.074 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.269 12.4 mt-10 62.71 48.86 4.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 131.533 3.933 . . . . 0.0 114.044 -171.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -73.87 136.9 43.45 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.325 164.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 73.4 m -103.41 127.51 50.75 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 125.382 1.473 . . . . 0.0 113.136 -170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.0 mt -95.65 148.12 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.585 0 C-N-CA 129.913 3.285 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -112.1 151.88 28.91 Favored 'General case' 0 C--O 1.265 1.874 0 N-CA-C 120.045 3.35 . . . . 0.0 120.045 167.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' B' ' 47' ' ' TYR . 2.9 t -109.51 130.09 63.17 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 119.427 1.012 . . . . 0.0 112.666 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -114.15 133.16 55.77 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.295 -2.128 . . . . 0.0 111.462 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -73.99 123.76 24.93 Favored 'General case' 0 CA--C 1.59 2.486 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 164.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.31 150.47 47.33 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-N 120.808 1.64 . . . . 0.0 109.662 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -70.09 164.24 24.51 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 126.079 2.847 . . . . 0.0 108.033 -169.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 1.3 p -130.57 -8.75 4.1 Favored 'General case' 0 CA--C 1.597 2.759 0 CA-C-N 113.063 -1.88 . . . . 0.0 112.193 169.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.29 169.34 43.39 Favored Glycine 0 CA--C 1.543 1.822 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.276 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.28 174.45 32.4 Favored Glycine 0 C--O 1.2 -2.008 0 O-C-N 125.601 1.412 . . . . 0.0 115.268 -173.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.2 t -81.84 128.03 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 C-N-CA 128.146 2.578 . . . . 0.0 109.548 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.439 -1.015 0 CA-C-O 114.449 -2.691 . . . . 0.0 108.598 -174.362 . . . . . . . . 0 0 . 1 stop_ save_